1-(2-cyclopropyl-1,3-oxazole-4-carbonyl)-3-methylazetidine-3-carboxylic acid

C12H14N2O4 — CID 138054920

IUPAC1-(2-cyclopropyl-1,3-oxazole-4-carbonyl)-3-methylazetidine-3-carboxylic acid
SMILESCC1(C(=O)O)CN(C(=O)c2coc(C3CC3)n2)C1
InChIInChI=1S/C12H14N2O4/c1-12(11(16)17)5-14(6-12)10(15)8-4-18-9(13-8)7-2-3-7/h4,7H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyIDLMSZXPBQZKBS-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.10
Rot. Bonds3

About 1-(2-cyclopropyl-1,3-oxazole-4-carbonyl)-3-methylazetidine-3-carboxylic acid

1-(2-cyclopropyl-1,3-oxazole-4-carbonyl)-3-methylazetidine-3-carboxylic acid (PubChem CID 138054920) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-oxazole-4-carbonyl)-3-methylazetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropyl-1,3-oxazole-4-carbonyl)-3-methylazetidine-3-carboxylic acid
PubChem CID138054920
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name1-(2-cyclopropyl-1,3-oxazole-4-carbonyl)-3-methylazetidine-3-carboxylic acid
SMILESCC1(C(=O)O)CN(C(=O)c2coc(C3CC3)n2)C1
InChIInChI=1S/C12H14N2O4/c1-12(11(16)17)5-14(6-12)10(15)8-4-18-9(13-8)7-2-3-7/h4,7H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyIDLMSZXPBQZKBS-UHFFFAOYSA-N
XLogP1.10
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-1,3-oxazole-4-carboxylic acid
CID 53399655
2-(1-tert-butylpiperidin-4-yl)-1,3-oxazole-4-carboxylic acid
CID 59035438
4-(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)piperazine-1-carbaldehyde
CID 3854189
1-(2-cyclopropyl-1,3-thiazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 102553338
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123624
(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone
CID 127907878
[(2R)-2-methyloxolan-2-yl]methyl 2-cyclopropyl-1,3-oxazole-4-carboxylate
CID 99800522
(2-methyloxolan-2-yl)methyl 2-cyclopropyl-1,3-oxazole-4-carboxylate
CID 102563709
2-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 130375891
(2-cyclononyl-1,3-oxazol-4-yl)-phenylmethanone
CID 138501083
2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid
CID 62234864
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone
CID 127895119

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1,3-oxazole-4-carbonyl)-3-methylazetidine-3-carboxylic acid?
The IUPAC name of 1-(2-cyclopropyl-1,3-oxazole-4-carbonyl)-3-methylazetidine-3-carboxylic acid (CID 138054920) is 1-(2-cyclopropyl-1,3-oxazole-4-carbonyl)-3-methylazetidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropyl-1,3-oxazole-4-carbonyl)-3-methylazetidine-3-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropyl-1,3-oxazole-4-carbonyl)-3-methylazetidine-3-carboxylic acid is CC1(C(=O)O)CN(C(=O)c2coc(C3CC3)n2)C1.
What is the InChIKey of 1-(2-cyclopropyl-1,3-oxazole-4-carbonyl)-3-methylazetidine-3-carboxylic acid?
The InChIKey is IDLMSZXPBQZKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-12(11(16)17)5-14(6-12)10(15)8-4-18-9(13-8)7-2-3-7/h4,7H,2-3,5-6H2,1H3,(H,16,17).
What are the key properties of 1-(2-cyclopropyl-1,3-oxazole-4-carbonyl)-3-methylazetidine-3-carboxylic acid?
1-(2-cyclopropyl-1,3-oxazole-4-carbonyl)-3-methylazetidine-3-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1,3-oxazole-4-carbonyl)-3-methylazetidine-3-carboxylic acid is sourced from PubChem (CID 138054920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).