6-cyclopropyl-N-(2-fluoro-5-nitrophenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H17FN4O4 — CID 60528237

IUPAC6-cyclopropyl-N-(2-fluoro-5-nitrophenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)c12
InChIInChI=1S/C19H17FN4O4/c1-9(2)17-16-12(8-14(10-3-4-10)22-19(16)28-23-17)18(25)21-15-7-11(24(26)27)5-6-13(15)20/h5-10H,3-4H2,1-2H3,(H,21,25)
InChIKeyUEPZLJXKSSWVPN-UHFFFAOYSA-N
MW384.37 g/mol
LogP4.52
Rot. Bonds5

About 6-cyclopropyl-N-(2-fluoro-5-nitrophenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-(2-fluoro-5-nitrophenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 60528237) has the molecular formula C19H17FN4O4 and a molecular weight of 384.37 g/mol. Its IUPAC name is 6-cyclopropyl-N-(2-fluoro-5-nitrophenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(2-fluoro-5-nitrophenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID60528237
Molecular FormulaC19H17FN4O4
Molecular Weight384.37 g/mol
Exact Mass384.12
IUPAC Name6-cyclopropyl-N-(2-fluoro-5-nitrophenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)c12
InChIInChI=1S/C19H17FN4O4/c1-9(2)17-16-12(8-14(10-3-4-10)22-19(16)28-23-17)18(25)21-15-7-11(24(26)27)5-6-13(15)20/h5-10H,3-4H2,1-2H3,(H,21,25)
InChIKeyUEPZLJXKSSWVPN-UHFFFAOYSA-N
XLogP4.52
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-cyclopropyl-N-(2-fluoro-5-nitrophenyl)-3-propan-2-yl-[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

6-cyclopropyl-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78876498
N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120504755
N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 120504754
6-cyclopropyl-N-(3-hydroxypropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78876018
N-(4-aminocyclohexyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119476558
6-cyclopropyl-N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315355
6-cyclopropyl-3-propan-2-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78876383
N-(1-amino-4-methylpentan-2-yl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119586985
6-cyclopropyl-N-[(4-methylquinazolin-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71880326
6-cyclopropyl-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 138992326
(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561721
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46680788

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(2-fluoro-5-nitrophenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(2-fluoro-5-nitrophenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 60528237) is 6-cyclopropyl-N-(2-fluoro-5-nitrophenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(2-fluoro-5-nitrophenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(2-fluoro-5-nitrophenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)c12.
What is the InChIKey of 6-cyclopropyl-N-(2-fluoro-5-nitrophenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is UEPZLJXKSSWVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4/c1-9(2)17-16-12(8-14(10-3-4-10)22-19(16)28-23-17)18(25)21-15-7-11(24(26)27)5-6-13(15)20/h5-10H,3-4H2,1-2H3,(H,21,25).
What are the key properties of 6-cyclopropyl-N-(2-fluoro-5-nitrophenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-(2-fluoro-5-nitrophenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 384.37 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(2-fluoro-5-nitrophenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 60528237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).