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

C35H29F4N5O3 — CID 58428856

IUPACN-[6-[4-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2F)ccc1-c1ccc(NC(=O)c2oc(N3CCC(c4ccccc4)CC3)nc2C(F)(F)F)cn1
InChIInChI=1S/C35H29F4N5O3/c1-21-19-24(32(45)42-29-10-6-5-9-27(29)36)11-13-26(21)28-14-12-25(20-40-28)41-33(46)30-31(35(37,38)39)43-34(47-30)44-17-15-23(16-18-44)22-7-3-2-4-8-22/h2-14,19-20,23H,15-18H2,1H3,(H,41,46)(H,42,45)
InChIKeyVDLMBRPROZQWIV-UHFFFAOYSA-N
MW643.64 g/mol
LogP8.09
Rot. Bonds7

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

N-[6-[4-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 58428856) has the molecular formula C35H29F4N5O3 and a molecular weight of 643.64 g/mol. Its IUPAC name is N-[6-[4-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[4-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID58428856
Molecular FormulaC35H29F4N5O3
Molecular Weight643.64 g/mol
Exact Mass643.22
IUPAC NameN-[6-[4-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2F)ccc1-c1ccc(NC(=O)c2oc(N3CCC(c4ccccc4)CC3)nc2C(F)(F)F)cn1
InChIInChI=1S/C35H29F4N5O3/c1-21-19-24(32(45)42-29-10-6-5-9-27(29)36)11-13-26(21)28-14-12-25(20-40-28)41-33(46)30-31(35(37,38)39)43-34(47-30)44-17-15-23(16-18-44)22-7-3-2-4-8-22/h2-14,19-20,23H,15-18H2,1H3,(H,41,46)(H,42,45)
InChIKeyVDLMBRPROZQWIV-UHFFFAOYSA-N
XLogP8.09
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.64
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[6-[4-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 58428856) is N-[6-[4-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[6-[4-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[6-[4-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccccc2F)ccc1-c1ccc(NC(=O)c2oc(N3CCC(c4ccccc4)CC3)nc2C(F)(F)F)cn1.
What is the InChIKey of N-[6-[4-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is VDLMBRPROZQWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29F4N5O3/c1-21-19-24(32(45)42-29-10-6-5-9-27(29)36)11-13-26(21)28-14-12-25(20-40-28)41-33(46)30-31(35(37,38)39)43-34(47-30)44-17-15-23(16-18-44)22-7-3-2-4-8-22/h2-14,19-20,23H,15-18H2,1H3,(H,41,46)(H,42,45).
What are the key properties of N-[6-[4-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[6-[4-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 643.64 g/mol, XLogP of 8.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 58428856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).