N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;bis(N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide);N-[4-[6-[(2-methylphenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C142H138F15N25O15 — CID 158656732

IUPACN-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;bis(N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide);N-[4-[6-[(2-methylphenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cc2)cn1.Cc1ccccc1C(=O)N1CC[C@H](Nc2ccc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cn2)C1.Cc1ccccc1NC(=O)c1ccc(-c2ccc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cc2)cn1.Cc1ccccc1NC(=O)c1ccc(-c2ccc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cn2)cc1.Cc1ccccc1NC(=O)c1ccc(-c2ccc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cn2)cc1
InChIInChI=1S/3C30H28F3N5O3.C28H31F3N6O3.C24H23F3N4O3/c1-18-6-5-15-38(17-18)29-37-26(30(31,32)33)25(41-29)28(40)35-22-12-9-20(10-13-22)21-11-14-24(34-16-21)27(39)36-23-8-4-3-7-19(23)2;2*1-18-6-5-15-38(17-18)29-37-26(30(31,32)33)25(41-29)28(40)35-22-13-14-24(34-16-22)20-9-11-21(12-10-20)27(39)36-23-8-4-3-7-19(23)2;1-17-6-5-12-37(15-17)27-35-24(28(29,30)31)23(40-27)25(38)34-19-9-10-22(32-14-19)33-20-11-13-36(16-20)26(39)21-8-4-3-7-18(21)2;1-14-4-3-11-31(13-14)23-30-21(24(25,26)27)20(34-23)22(33)29-18-8-5-16(6-9-18)17-7-10-19(15(2)32)28-12-17/h3*3-4,7-14,16,18H,5-6,15,17H2,1-2H3,(H,35,40)(H,36,39);3-4,7-10,14,17,20H,5-6,11-13,15-16H2,1-2H3,(H,32,33)(H,34,38);5-10,12,14H,3-4,11,13H2,1-2H3,(H,29,33)/t;;;17?,20-;/m...0./s1
InChIKeyICFPWUDKSWWXQY-JLRBASNFSA-N
MW2719.80 g/mol
LogP31.07
Rot. Bonds29

About N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;bis(N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide);N-[4-[6-[(2-methylphenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;bis(N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide);N-[4-[6-[(2-methylphenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 158656732) has the molecular formula C142H138F15N25O15 and a molecular weight of 2719.80 g/mol. Its IUPAC name is N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;bis(N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide);N-[4-[6-[(2-methylphenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;bis(N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide);N-[4-[6-[(2-methylphenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID158656732
Molecular FormulaC142H138F15N25O15
Molecular Weight2719.80 g/mol
Exact Mass2718.06
IUPAC NameN-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;bis(N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide);N-[4-[6-[(2-methylphenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cc2)cn1.Cc1ccccc1C(=O)N1CC[C@H](Nc2ccc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cn2)C1.Cc1ccccc1NC(=O)c1ccc(-c2ccc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cc2)cn1.Cc1ccccc1NC(=O)c1ccc(-c2ccc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cn2)cc1.Cc1ccccc1NC(=O)c1ccc(-c2ccc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cn2)cc1
InChIInChI=1S/3C30H28F3N5O3.C28H31F3N6O3.C24H23F3N4O3/c1-18-6-5-15-38(17-18)29-37-26(30(31,32)33)25(41-29)28(40)35-22-12-9-20(10-13-22)21-11-14-24(34-16-21)27(39)36-23-8-4-3-7-19(23)2;2*1-18-6-5-15-38(17-18)29-37-26(30(31,32)33)25(41-29)28(40)35-22-13-14-24(34-16-22)20-9-11-21(12-10-20)27(39)36-23-8-4-3-7-19(23)2;1-17-6-5-12-37(15-17)27-35-24(28(29,30)31)23(40-27)25(38)34-19-9-10-22(32-14-19)33-20-11-13-36(16-20)26(39)21-8-4-3-7-18(21)2;1-14-4-3-11-31(13-14)23-30-21(24(25,26)27)20(34-23)22(33)29-18-8-5-16(6-9-18)17-7-10-19(15(2)32)28-12-17/h3*3-4,7-14,16,18H,5-6,15,17H2,1-2H3,(H,35,40)(H,36,39);3-4,7-10,14,17,20H,5-6,11-13,15-16H2,1-2H3,(H,32,33)(H,34,38);5-10,12,14H,3-4,11,13H2,1-2H3,(H,29,33)/t;;;17?,20-;/m...0./s1
InChIKeyICFPWUDKSWWXQY-JLRBASNFSA-N
XLogP31.07
TPSA493.01 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds29
Heavy Atoms197
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002719.80
LogP ≤ 531.07
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Analyze N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;bis(N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide);N-[4-[6-[(2-methylphenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;bis(N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide);N-[4-[6-[(2-methylphenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;bis(N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide);N-[4-[6-[(2-methylphenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 158656732) is N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;bis(N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide);N-[4-[6-[(2-methylphenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;bis(N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide);N-[4-[6-[(2-methylphenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;bis(N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide);N-[4-[6-[(2-methylphenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is CC(=O)c1ccc(-c2ccc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cc2)cn1.Cc1ccccc1C(=O)N1CC[C@H](Nc2ccc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cn2)C1.Cc1ccccc1NC(=O)c1ccc(-c2ccc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cc2)cn1.Cc1ccccc1NC(=O)c1ccc(-c2ccc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cn2)cc1.Cc1ccccc1NC(=O)c1ccc(-c2ccc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cn2)cc1.
What is the InChIKey of N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;bis(N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide);N-[4-[6-[(2-methylphenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is ICFPWUDKSWWXQY-JLRBASNFSA-N. The full InChI is InChI=1S/3C30H28F3N5O3.C28H31F3N6O3.C24H23F3N4O3/c1-18-6-5-15-38(17-18)29-37-26(30(31,32)33)25(41-29)28(40)35-22-12-9-20(10-13-22)21-11-14-24(34-16-21)27(39)36-23-8-4-3-7-19(23)2;2*1-18-6-5-15-38(17-18)29-37-26(30(31,32)33)25(41-29)28(40)35-22-13-14-24(34-16-22)20-9-11-21(12-10-20)27(39)36-23-8-4-3-7-19(23)2;1-17-6-5-12-37(15-17)27-35-24(28(29,30)31)23(40-27)25(38)34-19-9-10-22(32-14-19)33-20-11-13-36(16-20)26(39)21-8-4-3-7-18(21)2;1-14-4-3-11-31(13-14)23-30-21(24(25,26)27)20(34-23)22(33)29-18-8-5-16(6-9-18)17-7-10-19(15(2)32)28-12-17/h3*3-4,7-14,16,18H,5-6,15,17H2,1-2H3,(H,35,40)(H,36,39);3-4,7-10,14,17,20H,5-6,11-13,15-16H2,1-2H3,(H,32,33)(H,34,38);5-10,12,14H,3-4,11,13H2,1-2H3,(H,29,33)/t;;;17?,20-;/m...0./s1.
What are the key properties of N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;bis(N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide);N-[4-[6-[(2-methylphenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;bis(N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide);N-[4-[6-[(2-methylphenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 2719.80 g/mol, XLogP of 31.07, 29 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;bis(N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide);N-[4-[6-[(2-methylphenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 158656732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).