N-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxamide

C12H14N4O3 — CID 141173121

IUPACN-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESC[C@@H](CO)Nc1ccc(NC(=O)c2cocn2)cn1
InChIInChI=1S/C12H14N4O3/c1-8(5-17)15-11-3-2-9(4-13-11)16-12(18)10-6-19-7-14-10/h2-4,6-8,17H,5H2,1H3,(H,13,15)(H,16,18)/t8-/m0/s1
InChIKeyIWSRNPVUXJOXMX-QMMMGPOBSA-N
MW262.27 g/mol
LogP1.11
Rot. Bonds5

About N-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxamide

N-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxamide (PubChem CID 141173121) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxamide
PubChem CID141173121
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESC[C@@H](CO)Nc1ccc(NC(=O)c2cocn2)cn1
InChIInChI=1S/C12H14N4O3/c1-8(5-17)15-11-3-2-9(4-13-11)16-12(18)10-6-19-7-14-10/h2-4,6-8,17H,5H2,1H3,(H,13,15)(H,16,18)/t8-/m0/s1
InChIKeyIWSRNPVUXJOXMX-QMMMGPOBSA-N
XLogP1.11
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 141173163
N-(4-aminophenyl)-1,3-oxazole-4-carboxamide
CID 22612942
ethane;molecular hydrogen;N-phenyl-1,3-oxazole-4-carboxamide;propane
CID 145236697
N-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide
CID 113009751
tert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate
CID 137320728
N-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;dihydrochloride
CID 118471591
2-chloro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]acetamide
CID 82022508
N-(2,6-diethylphenyl)-1,3-oxazole-4-carboxamide
CID 110689557
2-fluoro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]benzamide
CID 82022519
5-(1,3-oxazole-4-carbonylamino)isoindole-2-carboxylic acid
CID 155164296
ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate
CID 115268615
2-[(6-amino-3-pyridinyl)amino]propan-1-ol
CID 43498943

Frequently Asked Questions

What is the IUPAC name of N-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxamide (CID 141173121) is N-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxamide is C[C@@H](CO)Nc1ccc(NC(=O)c2cocn2)cn1.
What is the InChIKey of N-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The InChIKey is IWSRNPVUXJOXMX-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-8(5-17)15-11-3-2-9(4-13-11)16-12(18)10-6-19-7-14-10/h2-4,6-8,17H,5H2,1H3,(H,13,15)(H,16,18)/t8-/m0/s1.
What are the key properties of N-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxamide?
N-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 141173121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).