2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid

C15H17N3O4 — CID 146599020

IUPAC2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2ccnc(N[C@@H]3CCCC[C@@H]3O)c2)n1
InChIInChI=1S/C15H17N3O4/c19-12-4-2-1-3-10(12)17-13-7-9(5-6-16-13)14-18-11(8-22-14)15(20)21/h5-8,10,12,19H,1-4H2,(H,16,17)(H,20,21)/t10-,12+/m1/s1
InChIKeyPXOSHKVYKPNOIL-PWSUYJOCSA-N
MW303.32 g/mol
LogP2.15
Rot. Bonds4

About 2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid

2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 146599020) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
PubChem CID146599020
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2ccnc(N[C@@H]3CCCC[C@@H]3O)c2)n1
InChIInChI=1S/C15H17N3O4/c19-12-4-2-1-3-10(12)17-13-7-9(5-6-16-13)14-18-11(8-22-14)15(20)21/h5-8,10,12,19H,1-4H2,(H,16,17)(H,20,21)/t10-,12+/m1/s1
InChIKeyPXOSHKVYKPNOIL-PWSUYJOCSA-N
XLogP2.15
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid with MolForge

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Related Compounds

lithium;1-[2-(2-fluoro-4-pyridinyl)-1,3-oxazol-4-yl]ethanone;2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;1-[2-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazol-4-yl]ethanone;trans-(1S,2S)-2-methylcyclohexan-1-amine;hydroxide;hydrate
CID 167633524
2-[2-(hydroxyamino)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 137218916
2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 155483929
2-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 77492295
2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid
CID 62234498
2-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol
CID 68561498
2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid
CID 67083636
2-(cyclopentylamino)pyrimidine-4-carboxylic acid
CID 91076843
2-(pyrazin-2-ylamino)cyclohexan-1-ol
CID 62361109
5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 146598719
4-(2-hydroxycyclohexyl)sulfanylpyridine-2-carboxylic acid
CID 79553888
methyl N-[3-[2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-pyridinyl]phenyl]carbamate
CID 71233268

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid (CID 146599020) is 2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(-c2ccnc(N[C@@H]3CCCC[C@@H]3O)c2)n1.
What is the InChIKey of 2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is PXOSHKVYKPNOIL-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H17N3O4/c19-12-4-2-1-3-10(12)17-13-7-9(5-6-16-13)14-18-11(8-22-14)15(20)21/h5-8,10,12,19H,1-4H2,(H,16,17)(H,20,21)/t10-,12+/m1/s1.
What are the key properties of 2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid?
2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 146599020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).