2-[1-amino-3-(4-fluorophenyl)propyl]-N-(6-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide

C26H27FN4O2 — CID 18458200

IUPAC2-[1-amino-3-(4-fluorophenyl)propyl]-N-(6-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide
SMILESCC(C)(C)c1ccc2ncc(NC(=O)c3coc(C(N)CCc4ccc(F)cc4)n3)cc2c1
InChIInChI=1S/C26H27FN4O2/c1-26(2,3)18-7-11-22-17(12-18)13-20(14-29-22)30-24(32)23-15-33-25(31-23)21(28)10-6-16-4-8-19(27)9-5-16/h4-5,7-9,11-15,21H,6,10,28H2,1-3H3,(H,30,32)
InChIKeyJSWZPWZKEXJBBF-UHFFFAOYSA-N
MW446.53 g/mol
LogP5.54
Rot. Bonds6

About 2-[1-amino-3-(4-fluorophenyl)propyl]-N-(6-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide

2-[1-amino-3-(4-fluorophenyl)propyl]-N-(6-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide (PubChem CID 18458200) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is 2-[1-amino-3-(4-fluorophenyl)propyl]-N-(6-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-amino-3-(4-fluorophenyl)propyl]-N-(6-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide
PubChem CID18458200
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC Name2-[1-amino-3-(4-fluorophenyl)propyl]-N-(6-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide
SMILESCC(C)(C)c1ccc2ncc(NC(=O)c3coc(C(N)CCc4ccc(F)cc4)n3)cc2c1
InChIInChI=1S/C26H27FN4O2/c1-26(2,3)18-7-11-22-17(12-18)13-20(14-29-22)30-24(32)23-15-33-25(31-23)21(28)10-6-16-4-8-19(27)9-5-16/h4-5,7-9,11-15,21H,6,10,28H2,1-3H3,(H,30,32)
InChIKeyJSWZPWZKEXJBBF-UHFFFAOYSA-N
XLogP5.54
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.53
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-amino-3-(4-fluorophenyl)propyl]-N-(6-tert-butylquinolin-3-yl)-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

Related Compounds

ALP-POS-d0876c20-1
CID 156906461
ALP-POS-02c6a514-50
CID 156906926
ALP-POS-d0876c20-21
CID 156906473
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide
CID 58081230
ALP-POS-d0876c20-15
CID 156906470
ALP-POS-ced8ea4d-27
CID 156906604
ALP-POS-88a7a97e-9
CID 156906511
ALP-POS-88a7a97e-4
CID 156906507
ALP-POS-88a7a97e-8
CID 156906510
2-[(1R)-1-[[(3R)-3,6-diamino-2-hydroxyhexyl]amino]-3-phenylpropyl]-N-quinolin-3-yl-1,3-oxazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 44378201
2-[(1R)-1-[[(2R)-2,5-diaminopentanoyl]amino]-3-phenylpropyl]-N-quinolin-3-yl-1,3-oxazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 44378240
N-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)ethyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 45997171

Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-3-(4-fluorophenyl)propyl]-N-(6-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-amino-3-(4-fluorophenyl)propyl]-N-(6-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide (CID 18458200) is 2-[1-amino-3-(4-fluorophenyl)propyl]-N-(6-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-amino-3-(4-fluorophenyl)propyl]-N-(6-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-amino-3-(4-fluorophenyl)propyl]-N-(6-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide is CC(C)(C)c1ccc2ncc(NC(=O)c3coc(C(N)CCc4ccc(F)cc4)n3)cc2c1.
What is the InChIKey of 2-[1-amino-3-(4-fluorophenyl)propyl]-N-(6-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is JSWZPWZKEXJBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c1-26(2,3)18-7-11-22-17(12-18)13-20(14-29-22)30-24(32)23-15-33-25(31-23)21(28)10-6-16-4-8-19(27)9-5-16/h4-5,7-9,11-15,21H,6,10,28H2,1-3H3,(H,30,32).
What are the key properties of 2-[1-amino-3-(4-fluorophenyl)propyl]-N-(6-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide?
2-[1-amino-3-(4-fluorophenyl)propyl]-N-(6-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-3-(4-fluorophenyl)propyl]-N-(6-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 18458200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).