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

C12H16N4O2 — CID 95556331

IUPACN-[(2S)-1-imidazol-1-ylbutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCC[C@@H](Cn1ccnc1)NC(=O)c1cc(C)no1
InChIInChI=1S/C12H16N4O2/c1-3-10(7-16-5-4-13-8-16)14-12(17)11-6-9(2)15-18-11/h4-6,8,10H,3,7H2,1-2H3,(H,14,17)/t10-/m0/s1
InChIKeyGOSUUSSVVWWWKC-JTQLQIEISA-N
MW248.29 g/mol
LogP1.39
Rot. Bonds5

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

N-[(2S)-1-imidazol-1-ylbutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 95556331) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[(2S)-1-imidazol-1-ylbutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-imidazol-1-ylbutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID95556331
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-[(2S)-1-imidazol-1-ylbutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCC[C@@H](Cn1ccnc1)NC(=O)c1cc(C)no1
InChIInChI=1S/C12H16N4O2/c1-3-10(7-16-5-4-13-8-16)14-12(17)11-6-9(2)15-18-11/h4-6,8,10H,3,7H2,1-2H3,(H,14,17)/t10-/m0/s1
InChIKeyGOSUUSSVVWWWKC-JTQLQIEISA-N
XLogP1.39
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104981056
N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide
CID 131918177
3-butan-2-yl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxamide
CID 75373427
N-(1-imidazol-1-ylbutan-2-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131948618
2-bromo-N-(1-imidazol-1-ylbutan-2-yl)acetamide
CID 82110009
2-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-1-imidazol-1-ylbutan-2-yl]acetamide
CID 99984955
7-fluoro-N-[(2R)-1-imidazol-1-ylbutan-2-yl]-2-methylquinoline-4-carboxamide
CID 96573373
2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide
CID 91778772
N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 56707272
1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea
CID 118790076
N-(1-imidazol-1-ylbutan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172672908
N-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide
CID 126446563

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-imidazol-1-ylbutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-imidazol-1-ylbutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide (CID 95556331) is N-[(2S)-1-imidazol-1-ylbutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-imidazol-1-ylbutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-imidazol-1-ylbutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide is CC[C@@H](Cn1ccnc1)NC(=O)c1cc(C)no1.
What is the InChIKey of N-[(2S)-1-imidazol-1-ylbutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is GOSUUSSVVWWWKC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N4O2/c1-3-10(7-16-5-4-13-8-16)14-12(17)11-6-9(2)15-18-11/h4-6,8,10H,3,7H2,1-2H3,(H,14,17)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-imidazol-1-ylbutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[(2S)-1-imidazol-1-ylbutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-imidazol-1-ylbutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95556331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).