1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid

C16H16N2O4 — CID 119355297

IUPAC1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccc(-c2ocnc2C(=O)N2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C16H16N2O4/c1-10-2-4-11(5-3-10)14-13(17-9-22-14)15(19)18-7-6-12(8-18)16(20)21/h2-5,9,12H,6-8H2,1H3,(H,20,21)
InChIKeyRUILDGMSLFIQGF-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.20
Rot. Bonds3

About 1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid

1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 119355297) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID119355297
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccc(-c2ocnc2C(=O)N2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C16H16N2O4/c1-10-2-4-11(5-3-10)14-13(17-9-22-14)15(19)18-7-6-12(8-18)16(20)21/h2-5,9,12H,6-8H2,1H3,(H,20,21)
InChIKeyRUILDGMSLFIQGF-UHFFFAOYSA-N
XLogP2.20
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124696527
(3S)-1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119173905
(3-aminopyrrolidin-1-yl)-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride
CID 119482806
1-[5-(2-fluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 154844847
1,4-diazepan-1-yl-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone
CID 119416396
1,4-diazepan-1-yl-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride
CID 119416395
1-[4-(1,3,4-oxadiazol-2-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63030571
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
[5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 110244642
5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 2739751
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone
CID 51494377
(3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124697850

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid (CID 119355297) is 1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid is Cc1ccc(-c2ocnc2C(=O)N2CCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RUILDGMSLFIQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-10-2-4-11(5-3-10)14-13(17-9-22-14)15(19)18-7-6-12(8-18)16(20)21/h2-5,9,12H,6-8H2,1H3,(H,20,21).
What are the key properties of 1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid?
1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 300.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119355297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).