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

C32H30F4N6O3 — CID 58428686

IUPACN-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F
InChIInChI=1S/C32H30F4N6O3/c33-25-9-5-4-8-24(25)30(44)41-18-16-40(17-19-41)26-11-10-23(20-37-26)38-29(43)27-28(32(34,35)36)39-31(45-27)42-14-12-22(13-15-42)21-6-2-1-3-7-21/h1-11,20,22H,12-19H2,(H,38,43)
InChIKeyAQXDSLIXYYFMAB-UHFFFAOYSA-N
MW622.62 g/mol
LogP5.83
Rot. Bonds6

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

N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 58428686) has the molecular formula C32H30F4N6O3 and a molecular weight of 622.62 g/mol. Its IUPAC name is N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID58428686
Molecular FormulaC32H30F4N6O3
Molecular Weight622.62 g/mol
Exact Mass622.23
IUPAC NameN-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F
InChIInChI=1S/C32H30F4N6O3/c33-25-9-5-4-8-24(25)30(44)41-18-16-40(17-19-41)26-11-10-23(20-37-26)38-29(43)27-28(32(34,35)36)39-31(45-27)42-14-12-22(13-15-42)21-6-2-1-3-7-21/h1-11,20,22H,12-19H2,(H,38,43)
InChIKeyAQXDSLIXYYFMAB-UHFFFAOYSA-N
XLogP5.83
TPSA94.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.62
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 58428686) is N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F.
What is the InChIKey of N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is AQXDSLIXYYFMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F4N6O3/c33-25-9-5-4-8-24(25)30(44)41-18-16-40(17-19-41)26-11-10-23(20-37-26)38-29(43)27-28(32(34,35)36)39-31(45-27)42-14-12-22(13-15-42)21-6-2-1-3-7-21/h1-11,20,22H,12-19H2,(H,38,43).
What are the key properties of N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 622.62 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 58428686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).