N-[(S)-cyano(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H16N4O2 — CID 95339422

IUPACN-[(S)-cyano(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)N[C@H](C#N)C3CC3)c12
InChIInChI=1S/C19H16N4O2/c1-11-17-14(18(24)21-16(10-20)13-7-8-13)9-15(22-19(17)25-23-11)12-5-3-2-4-6-12/h2-6,9,13,16H,7-8H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyWLVCQGPWLSCSJK-MRXNPFEDSA-N
MW332.36 g/mol
LogP3.23
Rot. Bonds4

About N-[(S)-cyano(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[(S)-cyano(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 95339422) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[(S)-cyano(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyano(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID95339422
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-[(S)-cyano(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)N[C@H](C#N)C3CC3)c12
InChIInChI=1S/C19H16N4O2/c1-11-17-14(18(24)21-16(10-20)13-7-8-13)9-15(22-19(17)25-23-11)12-5-3-2-4-6-12/h2-6,9,13,16H,7-8H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyWLVCQGPWLSCSJK-MRXNPFEDSA-N
XLogP3.23
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47064573
N-cyclopentyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30698272
3-methyl-N-(oxan-4-yl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71939341
N-[1-(hydroxymethyl)-3-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 166284388
N-(1-ethylpiperidin-4-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 36814386
N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95584725
N-(1,3-benzodioxol-5-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42475011
N-[(1R)-1-cyclopropylethyl]-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 33045364
N-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 97185405
3-methyl-6-phenyl-N-[4-(sulfamoylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55553192
6-cyclopropyl-3-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171314992
N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 39985346

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyano(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(S)-cyano(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 95339422) is N-[(S)-cyano(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(S)-cyano(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(S)-cyano(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@H](C#N)C3CC3)c12.
What is the InChIKey of N-[(S)-cyano(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WLVCQGPWLSCSJK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-11-17-14(18(24)21-16(10-20)13-7-8-13)9-15(22-19(17)25-23-11)12-5-3-2-4-6-12/h2-6,9,13,16H,7-8H2,1H3,(H,21,24)/t16-/m1/s1.
What are the key properties of N-[(S)-cyano(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(S)-cyano(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyano(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 95339422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).