N-cyclopentyl-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H23N3O2 — CID 134061039

IUPACN-cyclopentyl-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c12)C1CCCC1
InChIInChI=1S/C21H23N3O2/c1-3-24(16-11-7-8-12-16)21(25)17-13-18(15-9-5-4-6-10-15)22-20-19(17)14(2)23-26-20/h4-6,9-10,13,16H,3,7-8,11-12H2,1-2H3
InChIKeyJEJILMQZXORART-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.60
Rot. Bonds4

About N-cyclopentyl-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-cyclopentyl-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134061039) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134061039
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-cyclopentyl-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c12)C1CCCC1
InChIInChI=1S/C21H23N3O2/c1-3-24(16-11-7-8-12-16)21(25)17-13-18(15-9-5-4-6-10-15)22-20-19(17)14(2)23-26-20/h4-6,9-10,13,16H,3,7-8,11-12H2,1-2H3
InChIKeyJEJILMQZXORART-UHFFFAOYSA-N
XLogP4.60
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-methyl-6-phenyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47785560
N-cyclopropyl-N-ethyl-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 75402736
N-cyclopentyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30698272
N-(3-bromophenyl)-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 35060523
N,3-dimethyl-N-[(4-methylquinazolin-2-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51133374
[2-(diethylamino)-2-oxoethyl] 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681591
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51336601
propyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46542963
N-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 97185405
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 163086851
N-(1-ethylpiperidin-4-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 36814386
N-ethyl-3-methyl-6-(4-methylphenyl)-N-(2-methylprop-2-enyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 52559714

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-cyclopentyl-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 134061039) is N-cyclopentyl-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c12)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is JEJILMQZXORART-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-24(16-11-7-8-12-16)21(25)17-13-18(15-9-5-4-6-10-15)22-20-19(17)14(2)23-26-20/h4-6,9-10,13,16H,3,7-8,11-12H2,1-2H3.
What are the key properties of N-cyclopentyl-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-cyclopentyl-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134061039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).