N-methyl-1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)azetidine-3-carboxamide

C16H17N3O3 — CID 126785610

IUPACN-methyl-1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)azetidine-3-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2c(C)noc2-c2ccccc2)C1
InChIInChI=1S/C16H17N3O3/c1-10-13(14(22-18-10)11-6-4-3-5-7-11)16(21)19-8-12(9-19)15(20)17-2/h3-7,12H,8-9H2,1-2H3,(H,17,20)
InChIKeyVXGITSXHPGQIEW-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.47
Rot. Bonds3

About N-methyl-1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)azetidine-3-carboxamide

N-methyl-1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)azetidine-3-carboxamide (PubChem CID 126785610) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)azetidine-3-carboxamide
PubChem CID126785610
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-methyl-1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)azetidine-3-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2c(C)noc2-c2ccccc2)C1
InChIInChI=1S/C16H17N3O3/c1-10-13(14(22-18-10)11-6-4-3-5-7-11)16(21)19-8-12(9-19)15(20)17-2/h3-7,12H,8-9H2,1-2H3,(H,17,20)
InChIKeyVXGITSXHPGQIEW-UHFFFAOYSA-N
XLogP1.47
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 126791219
N-methyl-1-(3-phenyl-1,2,4-thiadiazole-5-carbonyl)azetidine-3-carboxamide
CID 167917530
[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92633071
1-(2,2-diphenylacetyl)-N-methylazetidine-3-carboxamide
CID 136532080
3-methyl-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 166330669
5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 133142151
N-[(1S)-1-(2-fluorophenyl)ethyl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 59170239
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608578
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 700898
N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511383
1-N,1-N-dimethyl-3-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)piperidine-1,3-dicarboxamide
CID 134714182
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide
CID 90511400

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-methyl-1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)azetidine-3-carboxamide (CID 126785610) is N-methyl-1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)azetidine-3-carboxamide is CNC(=O)C1CN(C(=O)c2c(C)noc2-c2ccccc2)C1.
What is the InChIKey of N-methyl-1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)azetidine-3-carboxamide?
The InChIKey is VXGITSXHPGQIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10-13(14(22-18-10)11-6-4-3-5-7-11)16(21)19-8-12(9-19)15(20)17-2/h3-7,12H,8-9H2,1-2H3,(H,17,20).
What are the key properties of N-methyl-1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)azetidine-3-carboxamide?
N-methyl-1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)azetidine-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 126785610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).