N-(4-tert-butylphenyl)-N-[2-(oxetan-3-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

C24H26N4O4 — CID 156906529

IUPACN-(4-tert-butylphenyl)-N-[2-(oxetan-3-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)NC2COC2)c2cccnc2)cc1
InChIInChI=1S/C24H26N4O4/c1-24(2,3)17-6-8-19(9-7-17)28(23(30)20-14-32-15-26-20)21(16-5-4-10-25-11-16)22(29)27-18-12-31-13-18/h4-11,14-15,18,21H,12-13H2,1-3H3,(H,27,29)
InChIKeyGIFDPZIHTATTCJ-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.27
Rot. Bonds6

About N-(4-tert-butylphenyl)-N-[2-(oxetan-3-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

N-(4-tert-butylphenyl)-N-[2-(oxetan-3-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (PubChem CID 156906529) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[2-(oxetan-3-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[2-(oxetan-3-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
PubChem CID156906529
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-(4-tert-butylphenyl)-N-[2-(oxetan-3-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)NC2COC2)c2cccnc2)cc1
InChIInChI=1S/C24H26N4O4/c1-24(2,3)17-6-8-19(9-7-17)28(23(30)20-14-32-15-26-20)21(16-5-4-10-25-11-16)22(29)27-18-12-31-13-18/h4-11,14-15,18,21H,12-13H2,1-3H3,(H,27,29)
InChIKeyGIFDPZIHTATTCJ-UHFFFAOYSA-N
XLogP3.27
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-tert-butylphenyl)-N-[2-(oxetan-3-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[2-(oxetan-3-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N-[2-(oxetan-3-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (CID 156906529) is N-(4-tert-butylphenyl)-N-[2-(oxetan-3-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[2-(oxetan-3-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[2-(oxetan-3-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is CC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)NC2COC2)c2cccnc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[2-(oxetan-3-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is GIFDPZIHTATTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-24(2,3)17-6-8-19(9-7-17)28(23(30)20-14-32-15-26-20)21(16-5-4-10-25-11-16)22(29)27-18-12-31-13-18/h4-11,14-15,18,21H,12-13H2,1-3H3,(H,27,29).
What are the key properties of N-(4-tert-butylphenyl)-N-[2-(oxetan-3-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
N-(4-tert-butylphenyl)-N-[2-(oxetan-3-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[2-(oxetan-3-ylamino)-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).