3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid

C16H16N2O4 — CID 119257328

IUPAC3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2ccc(-c3cnco3)cc2)C1
InChIInChI=1S/C16H16N2O4/c1-16(15(20)21)6-7-18(9-16)14(19)12-4-2-11(3-5-12)13-8-17-10-22-13/h2-5,8,10H,6-7,9H2,1H3,(H,20,21)
InChIKeyWCUSYNFZENIQOY-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.28
Rot. Bonds3

About 3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid (PubChem CID 119257328) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid
PubChem CID119257328
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2ccc(-c3cnco3)cc2)C1
InChIInChI=1S/C16H16N2O4/c1-16(15(20)21)6-7-18(9-16)14(19)12-4-2-11(3-5-12)13-8-17-10-22-13/h2-5,8,10H,6-7,9H2,1H3,(H,20,21)
InChIKeyWCUSYNFZENIQOY-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70775890
2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 72851128
1-(4-aminobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144123
3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142818
3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142817
1-(4-ethylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55164202
(3R)-1-(1-tert-butylpyrazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124682532
1-(3,4-dimethylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166899
1-(4-cyclobutylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 120688199
(3S)-3-methyl-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148601
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 128978740
(3R)-3-methyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 124692692

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid (CID 119257328) is 3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)c2ccc(-c3cnco3)cc2)C1.
What is the InChIKey of 3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is WCUSYNFZENIQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-16(15(20)21)6-7-18(9-16)14(19)12-4-2-11(3-5-12)13-8-17-10-22-13/h2-5,8,10H,6-7,9H2,1H3,(H,20,21).
What are the key properties of 3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 300.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119257328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).