3-tert-butyl-5-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-4-carboxamide

C20H23N3O3 — CID 110608906

IUPAC3-tert-butyl-5-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc2[nH]c(=O)c(CNC(=O)c3c(C(C)(C)C)noc3C)cc2c1
InChIInChI=1S/C20H23N3O3/c1-11-6-7-15-13(8-11)9-14(18(24)22-15)10-21-19(25)16-12(2)26-23-17(16)20(3,4)5/h6-9H,10H2,1-5H3,(H,21,25)(H,22,24)
InChIKeyBKXOLCOBFIDBRZ-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.36
Rot. Bonds3

About 3-tert-butyl-5-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-4-carboxamide

3-tert-butyl-5-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 110608906) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID110608906
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-tert-butyl-5-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc2[nH]c(=O)c(CNC(=O)c3c(C(C)(C)C)noc3C)cc2c1
InChIInChI=1S/C20H23N3O3/c1-11-6-7-15-13(8-11)9-14(18(24)22-15)10-21-19(25)16-12(2)26-23-17(16)20(3,4)5/h6-9H,10H2,1-5H3,(H,21,25)(H,22,24)
InChIKeyBKXOLCOBFIDBRZ-UHFFFAOYSA-N
XLogP3.36
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-5-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-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

Related Compounds

5-(4-chlorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 110619595
3-tert-butyl-N-(1H-indol-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110605804
4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpentanamide
CID 110414901
1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea
CID 110414626
6,8-dimethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 110616698
3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318648
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110616696
1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110662673
3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110414954
6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one
CID 97057433
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659
(E)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 110413421

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-tert-butyl-5-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-4-carboxamide (CID 110608906) is 3-tert-butyl-5-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-tert-butyl-5-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-tert-butyl-5-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-4-carboxamide is Cc1ccc2[nH]c(=O)c(CNC(=O)c3c(C(C)(C)C)noc3C)cc2c1.
What is the InChIKey of 3-tert-butyl-5-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is BKXOLCOBFIDBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-11-6-7-15-13(8-11)9-14(18(24)22-15)10-21-19(25)16-12(2)26-23-17(16)20(3,4)5/h6-9H,10H2,1-5H3,(H,21,25)(H,22,24).
What are the key properties of 3-tert-butyl-5-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-4-carboxamide?
3-tert-butyl-5-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110608906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).