N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C33H33F4N7O3 — CID 46211949

IUPACN-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCc1cccc(C2CCCN(c3nc(C(F)(F)F)c(C(=O)Nc4ccc(N5CCN(C(=O)Nc6ccccc6F)CC5)nc4)o3)C2)c1
InChIInChI=1S/C33H33F4N7O3/c1-21-6-4-7-22(18-21)23-8-5-13-44(20-23)32-41-29(33(35,36)37)28(47-32)30(45)39-24-11-12-27(38-19-24)42-14-16-43(17-15-42)31(46)40-26-10-3-2-9-25(26)34/h2-4,6-7,9-12,18-19,23H,5,8,13-17,20H2,1H3,(H,39,45)(H,40,46)
InChIKeyLYQODXDRCDKOHL-UHFFFAOYSA-N
MW651.67 g/mol
LogP6.53
Rot. Bonds6

About N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46211949) has the molecular formula C33H33F4N7O3 and a molecular weight of 651.67 g/mol. Its IUPAC name is N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID46211949
Molecular FormulaC33H33F4N7O3
Molecular Weight651.67 g/mol
Exact Mass651.26
IUPAC NameN-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCc1cccc(C2CCCN(c3nc(C(F)(F)F)c(C(=O)Nc4ccc(N5CCN(C(=O)Nc6ccccc6F)CC5)nc4)o3)C2)c1
InChIInChI=1S/C33H33F4N7O3/c1-21-6-4-7-22(18-21)23-8-5-13-44(20-23)32-41-29(33(35,36)37)28(47-32)30(45)39-24-11-12-27(38-19-24)42-14-16-43(17-15-42)31(46)40-26-10-3-2-9-25(26)34/h2-4,6-7,9-12,18-19,23H,5,8,13-17,20H2,1H3,(H,39,45)(H,40,46)
InChIKeyLYQODXDRCDKOHL-UHFFFAOYSA-N
XLogP6.53
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.67
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[6-[4-[(2-chlorophenyl)carbamoyl]piperazin-1-yl]pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212588
Ethyl 1-(5-(2-(piperidin-1-yl)-4-(trifluoromethyl)oxazole-5-carboxamido)pyridin-2-yl)piperidine-4-carboxylate
CID 67293479
Ethyl 1-[5-[[2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperidine-4-carboxylate
CID 67293558
Ethyl 4-[5-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperazine-1-carboxylate
CID 67293617
Ethyl 4-[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperazine-1-carboxylate
CID 67293664
Ethyl 4-[5-[[2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperazine-1-carboxylate
CID 67293853
N-(6-(4-(2-fluorophenylcarbamoyl)piperazin-1-yl)pyridin-3-yl)-2-(piperidin-1-yl)-4-(trifluoromethyl)oxazole-5-carboxamide
CID 67387006
Propan-2-yl 4-[5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperazine-1-carboxylate
CID 67387021
N-[6-(4-phenylpiperazin-1-yl)pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67390528
N-[6-[4-(cyclopentylcarbamoyl)piperazin-1-yl]pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 68235882
N-[6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 68236004
2-piperidin-1-yl-N-[6-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]pyridin-3-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 68236190

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46211949) is N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is Cc1cccc(C2CCCN(c3nc(C(F)(F)F)c(C(=O)Nc4ccc(N5CCN(C(=O)Nc6ccccc6F)CC5)nc4)o3)C2)c1.
What is the InChIKey of N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is LYQODXDRCDKOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33F4N7O3/c1-21-6-4-7-22(18-21)23-8-5-13-44(20-23)32-41-29(33(35,36)37)28(47-32)30(45)39-24-11-12-27(38-19-24)42-14-16-43(17-15-42)31(46)40-26-10-3-2-9-25(26)34/h2-4,6-7,9-12,18-19,23H,5,8,13-17,20H2,1H3,(H,39,45)(H,40,46).
What are the key properties of N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 651.67 g/mol, XLogP of 6.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46211949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).