N-(3-acetyloxetan-3-yl)-3-methyl-1,2-oxazole-5-carboxamide

C10H12N2O4 — CID 123709647

IUPACN-(3-acetyloxetan-3-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCC(=O)C1(NC(=O)c2cc(C)no2)COC1
InChIInChI=1S/C10H12N2O4/c1-6-3-8(16-12-6)9(14)11-10(7(2)13)4-15-5-10/h3H,4-5H2,1-2H3,(H,11,14)
InChIKeyBVPNVFJIHNQNQE-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.07
Rot. Bonds3

About N-(3-acetyloxetan-3-yl)-3-methyl-1,2-oxazole-5-carboxamide

N-(3-acetyloxetan-3-yl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 123709647) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-(3-acetyloxetan-3-yl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetyloxetan-3-yl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID123709647
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC NameN-(3-acetyloxetan-3-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCC(=O)C1(NC(=O)c2cc(C)no2)COC1
InChIInChI=1S/C10H12N2O4/c1-6-3-8(16-12-6)9(14)11-10(7(2)13)4-15-5-10/h3H,4-5H2,1-2H3,(H,11,14)
InChIKeyBVPNVFJIHNQNQE-UHFFFAOYSA-N
XLogP0.07
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 76930043
3-methyl-N-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexyl]-1,2-oxazole-5-carboxamide
CID 127423482
N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 115877949
3-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61289960
N-[1-(hydroxymethyl)cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 55082649
N-(1-cyanocyclooctyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 60968675
N-[1-(aminomethyl)cyclopentyl]-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119568167
2-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61292644
3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide
CID 114618847
N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94114367
3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
CID 33295118
methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate
CID 78904854

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyloxetan-3-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-acetyloxetan-3-yl)-3-methyl-1,2-oxazole-5-carboxamide (CID 123709647) is N-(3-acetyloxetan-3-yl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-acetyloxetan-3-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-acetyloxetan-3-yl)-3-methyl-1,2-oxazole-5-carboxamide is CC(=O)C1(NC(=O)c2cc(C)no2)COC1.
What is the InChIKey of N-(3-acetyloxetan-3-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is BVPNVFJIHNQNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6-3-8(16-12-6)9(14)11-10(7(2)13)4-15-5-10/h3H,4-5H2,1-2H3,(H,11,14).
What are the key properties of N-(3-acetyloxetan-3-yl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(3-acetyloxetan-3-yl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 224.22 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyloxetan-3-yl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 123709647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).