N-(4-tert-butylphenyl)-N-[2-[4-(3-fluorophenyl)piperidin-1-yl]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

C32H33FN4O3 — CID 156906384

IUPACN-(4-tert-butylphenyl)-N-[2-[4-(3-fluorophenyl)piperidin-1-yl]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)N2CCC(c3cccc(F)c3)CC2)c2cccnc2)cc1
InChIInChI=1S/C32H33FN4O3/c1-32(2,3)25-9-11-27(12-10-25)37(30(38)28-20-40-21-35-28)29(24-7-5-15-34-19-24)31(39)36-16-13-22(14-17-36)23-6-4-8-26(33)18-23/h4-12,15,18-22,29H,13-14,16-17H2,1-3H3
InChIKeyDJKLEAQONGAKOU-UHFFFAOYSA-N
MW540.64 g/mol
LogP6.30
Rot. Bonds6

About N-(4-tert-butylphenyl)-N-[2-[4-(3-fluorophenyl)piperidin-1-yl]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

N-(4-tert-butylphenyl)-N-[2-[4-(3-fluorophenyl)piperidin-1-yl]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (PubChem CID 156906384) has the molecular formula C32H33FN4O3 and a molecular weight of 540.64 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[2-[4-(3-fluorophenyl)piperidin-1-yl]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[2-[4-(3-fluorophenyl)piperidin-1-yl]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
PubChem CID156906384
Molecular FormulaC32H33FN4O3
Molecular Weight540.64 g/mol
Exact Mass540.25
IUPAC NameN-(4-tert-butylphenyl)-N-[2-[4-(3-fluorophenyl)piperidin-1-yl]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)N2CCC(c3cccc(F)c3)CC2)c2cccnc2)cc1
InChIInChI=1S/C32H33FN4O3/c1-32(2,3)25-9-11-27(12-10-25)37(30(38)28-20-40-21-35-28)29(24-7-5-15-34-19-24)31(39)36-16-13-22(14-17-36)23-6-4-8-26(33)18-23/h4-12,15,18-22,29H,13-14,16-17H2,1-3H3
InChIKeyDJKLEAQONGAKOU-UHFFFAOYSA-N
XLogP6.30
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.64
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ALP-POS-d0876c20-1
CID 156906461
ALP-POS-02c6a514-50
CID 156906926
ALP-POS-d9b6304e-1
CID 156906350
ALP-POS-d0876c20-5
CID 156906465
ALP-POS-d0876c20-17
CID 156906471
ALP-POS-d0876c20-21
CID 156906473
ALP-POS-88a7a97e-39
CID 156906533
ALP-POS-ced8ea4d-16
CID 156906593
ALP-POS-88a7a97e-24
CID 156906520
ALP-POS-95f71980-3
CID 156906386
ALP-POS-95f71980-10
CID 156906389
ALP-POS-95f71980-11
CID 156906390

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[2-[4-(3-fluorophenyl)piperidin-1-yl]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N-[2-[4-(3-fluorophenyl)piperidin-1-yl]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (CID 156906384) is N-(4-tert-butylphenyl)-N-[2-[4-(3-fluorophenyl)piperidin-1-yl]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[2-[4-(3-fluorophenyl)piperidin-1-yl]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[2-[4-(3-fluorophenyl)piperidin-1-yl]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is CC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)N2CCC(c3cccc(F)c3)CC2)c2cccnc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[2-[4-(3-fluorophenyl)piperidin-1-yl]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is DJKLEAQONGAKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN4O3/c1-32(2,3)25-9-11-27(12-10-25)37(30(38)28-20-40-21-35-28)29(24-7-5-15-34-19-24)31(39)36-16-13-22(14-17-36)23-6-4-8-26(33)18-23/h4-12,15,18-22,29H,13-14,16-17H2,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-N-[2-[4-(3-fluorophenyl)piperidin-1-yl]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
N-(4-tert-butylphenyl)-N-[2-[4-(3-fluorophenyl)piperidin-1-yl]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 540.64 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[2-[4-(3-fluorophenyl)piperidin-1-yl]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).