N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C25H21N3O3 — CID 39976233

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)N(C)[C@@H](C)c3cc4ccccc4o3)c12
InChIInChI=1S/C25H21N3O3/c1-15-23-19(14-20(26-24(23)31-27-15)17-9-5-4-6-10-17)25(29)28(3)16(2)22-13-18-11-7-8-12-21(18)30-22/h4-14,16H,1-3H3/t16-/m0/s1
InChIKeyFQOAQXWFTNWYSB-INIZCTEOSA-N
MW411.46 g/mol
LogP5.78
Rot. Bonds4

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 39976233) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID39976233
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)N(C)[C@@H](C)c3cc4ccccc4o3)c12
InChIInChI=1S/C25H21N3O3/c1-15-23-19(14-20(26-24(23)31-27-15)17-9-5-4-6-10-17)25(29)28(3)16(2)22-13-18-11-7-8-12-21(18)30-22/h4-14,16H,1-3H3/t16-/m0/s1
InChIKeyFQOAQXWFTNWYSB-INIZCTEOSA-N
XLogP5.78
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-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

N,3-dimethyl-6-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42930071
N-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 97185405
N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethylbenzamide
CID 46551169
6-(2-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46696500
3-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120524366
N-cyclopentyl-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134061039
N,3-dimethyl-N-[(4-methylquinazolin-2-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51133374
N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 34845376
methyl 2-methyl-5-[[methyl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylate
CID 30778475
methyl 3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate
CID 55818810
2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid
CID 62627993
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
CID 46551068

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 39976233) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)[C@@H](C)c3cc4ccccc4o3)c12.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FQOAQXWFTNWYSB-INIZCTEOSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-15-23-19(14-20(26-24(23)31-27-15)17-9-5-4-6-10-17)25(29)28(3)16(2)22-13-18-11-7-8-12-21(18)30-22/h4-14,16H,1-3H3/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 39976233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).