N-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-1,3-oxazole-5-carboxamide

C32H33FN6O3 — CID 91172501

IUPACN-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCN(CC(=O)c3ccccc3F)CC2)nc1)c1cnc(N2CCC(c3ccccc3)CC2)o1
InChIInChI=1S/C32H33FN6O3/c33-27-9-5-4-8-26(27)28(40)22-37-16-18-38(19-17-37)30-11-10-25(20-34-30)36-31(41)29-21-35-32(42-29)39-14-12-24(13-15-39)23-6-2-1-3-7-23/h1-11,20-21,24H,12-19,22H2,(H,36,41)
InChIKeyQAOJDWXIANHCAZ-UHFFFAOYSA-N
MW568.65 g/mol
LogP4.85
Rot. Bonds8

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

N-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-1,3-oxazole-5-carboxamide (PubChem CID 91172501) has the molecular formula C32H33FN6O3 and a molecular weight of 568.65 g/mol. Its IUPAC name is N-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-1,3-oxazole-5-carboxamide
PubChem CID91172501
Molecular FormulaC32H33FN6O3
Molecular Weight568.65 g/mol
Exact Mass568.26
IUPAC NameN-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCN(CC(=O)c3ccccc3F)CC2)nc1)c1cnc(N2CCC(c3ccccc3)CC2)o1
InChIInChI=1S/C32H33FN6O3/c33-27-9-5-4-8-26(27)28(40)22-37-16-18-38(19-17-37)30-11-10-25(20-34-30)36-31(41)29-21-35-32(42-29)39-14-12-24(13-15-39)23-6-2-1-3-7-23/h1-11,20-21,24H,12-19,22H2,(H,36,41)
InChIKeyQAOJDWXIANHCAZ-UHFFFAOYSA-N
XLogP4.85
TPSA94.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.65
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-(4-(2-fluorophenylcarbamoyl)piperazin-1-yl)pyridin-3-yl)-2-(piperidin-1-yl)-4-(trifluoromethyl)oxazole-5-carboxamide
CID 67387006
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-(cyclopentanecarbonyl)piperazin-1-yl]pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 68236004
N-[6-(4-phenylpiperidin-1-yl)pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67389970
N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 68235802
N-[6-(4-Benzoyl-1-piperazinyl)-3-pyridinyl]-5-[(2-fluorophenyl)amino]-1,3,4-oxadiazole-2-carboxamide
CID 11656056
N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]pyridin-2-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46196329
N-[6-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]pyridin-3-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207541
N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyridin-3-yl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207661
2-(4-phenylpiperidin-1-yl)-N-[6-[4-(1,2,3,4-tetrahydroquinoline-2-carbonyl)piperazin-1-yl]pyridin-3-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207662
N-[6-[4-(N-cyano-C-pyrrolidin-1-ylcarbonimidoyl)piperazin-1-yl]pyridin-3-yl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207663
N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207664

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-1,3-oxazole-5-carboxamide (CID 91172501) is N-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCN(CC(=O)c3ccccc3F)CC2)nc1)c1cnc(N2CCC(c3ccccc3)CC2)o1.
What is the InChIKey of N-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is QAOJDWXIANHCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN6O3/c33-27-9-5-4-8-26(27)28(40)22-37-16-18-38(19-17-37)30-11-10-25(20-34-30)36-31(41)29-21-35-32(42-29)39-14-12-24(13-15-39)23-6-2-1-3-7-23/h1-11,20-21,24H,12-19,22H2,(H,36,41).
What are the key properties of N-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-1,3-oxazole-5-carboxamide?
N-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 568.65 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 91172501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).