N-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C16H17N3O3S — CID 29418714

IUPACN-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOC[C@@H](C)NC(=O)c1cc(-c2cccs2)nc2onc(C)c12
InChIInChI=1S/C16H17N3O3S/c1-9(8-21-3)17-15(20)11-7-12(13-5-4-6-23-13)18-16-14(11)10(2)19-22-16/h4-7,9H,8H2,1-3H3,(H,17,20)/t9-/m1/s1
InChIKeyCYXBTAHFQYGPNI-SECBINFHSA-N
MW331.40 g/mol
LogP3.02
Rot. Bonds5

About N-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 29418714) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID29418714
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOC[C@@H](C)NC(=O)c1cc(-c2cccs2)nc2onc(C)c12
InChIInChI=1S/C16H17N3O3S/c1-9(8-21-3)17-15(20)11-7-12(13-5-4-6-23-13)18-16-14(11)10(2)19-22-16/h4-7,9H,8H2,1-3H3,(H,17,20)/t9-/m1/s1
InChIKeyCYXBTAHFQYGPNI-SECBINFHSA-N
XLogP3.02
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 94175732
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18205156
6-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42884611
ethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate
CID 46808868
3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9317168
3-(4-methylphenyl)-N-propan-2-yl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315509
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46680769
3-methyl-6-thiophen-2-yl-N'-(3,4,5-trimethoxybenzoyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 46665933
N-(furan-2-ylmethyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19591229
methyl 2-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 18276172
N-[(2S)-butan-2-yl]-3-(2-fluorophenyl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51854979
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24668528

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 29418714) is N-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COC[C@@H](C)NC(=O)c1cc(-c2cccs2)nc2onc(C)c12.
What is the InChIKey of N-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CYXBTAHFQYGPNI-SECBINFHSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-9(8-21-3)17-15(20)11-7-12(13-5-4-6-23-13)18-16-14(11)10(2)19-22-16/h4-7,9H,8H2,1-3H3,(H,17,20)/t9-/m1/s1.
What are the key properties of N-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 29418714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).