N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide

C9H14N2O3 — CID 104981056

IUPACN-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCC[C@@H](CO)NC(=O)c1cc(C)no1
InChIInChI=1S/C9H14N2O3/c1-3-7(5-12)10-9(13)8-4-6(2)11-14-8/h4,7,12H,3,5H2,1-2H3,(H,10,13)/t7-/m0/s1
InChIKeyOIBCPKPDPXUGBW-ZETCQYMHSA-N
MW198.22 g/mol
LogP0.48
Rot. Bonds4

About N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide

N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 104981056) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID104981056
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCC[C@@H](CO)NC(=O)c1cc(C)no1
InChIInChI=1S/C9H14N2O3/c1-3-7(5-12)10-9(13)8-4-6(2)11-14-8/h4,7,12H,3,5H2,1-2H3,(H,10,13)/t7-/m0/s1
InChIKeyOIBCPKPDPXUGBW-ZETCQYMHSA-N
XLogP0.48
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 65314948
N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 43428096
N-[(2S)-1-imidazol-1-ylbutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 95556331
(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 28777806
3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 43209831
N-(1-chloro-4-methylpentan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 114300759
4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61242547
N-(4-chlorobutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 83188576
N-(1-iodo-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 107859861
N-[(2R)-1-hydroxybutan-2-yl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 103919940
N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94114367
3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide
CID 51257536

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide (CID 104981056) is N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide is CC[C@@H](CO)NC(=O)c1cc(C)no1.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is OIBCPKPDPXUGBW-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-7(5-12)10-9(13)8-4-6(2)11-14-8/h4,7,12H,3,5H2,1-2H3,(H,10,13)/t7-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 198.22 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 104981056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).