1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid

C16H15ClN2O4 — CID 119256257

IUPAC1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2cc(-c3ccccc3Cl)on2)C1
InChIInChI=1S/C16H15ClN2O4/c1-16(15(21)22)6-7-19(9-16)14(20)12-8-13(23-18-12)10-4-2-3-5-11(10)17/h2-5,8H,6-7,9H2,1H3,(H,21,22)
InChIKeyGQDZKXFVJLKTOD-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.93
Rot. Bonds3

About 1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid

1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 119256257) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID119256257
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2cc(-c3ccccc3Cl)on2)C1
InChIInChI=1S/C16H15ClN2O4/c1-16(15(21)22)6-7-19(9-16)14(20)12-8-13(23-18-12)10-4-2-3-5-11(10)17/h2-5,8H,6-7,9H2,1H3,(H,21,22)
InChIKeyGQDZKXFVJLKTOD-UHFFFAOYSA-N
XLogP2.93
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-chlorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256069
(3R)-1-[2-(2-chlorophenyl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695777
1-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256786
[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48689999
3-methyl-1-(3-phenyl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119257353
3-methyl-1-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119256774
(3S)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695570
[1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 95799609
1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane
CID 178176313
1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046247
[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 1093829
1-(5-chloro-2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55167093

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (CID 119256257) is 1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)c2cc(-c3ccccc3Cl)on2)C1.
What is the InChIKey of 1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is GQDZKXFVJLKTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-16(15(21)22)6-7-19(9-16)14(20)12-8-13(23-18-12)10-4-2-3-5-11(10)17/h2-5,8H,6-7,9H2,1H3,(H,21,22).
What are the key properties of 1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 334.76 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119256257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).