(2S)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid

C16H16N2O4 — CID 119365014

IUPAC(2S)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1oc(-c2ccccc2)nc1C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C16H16N2O4/c1-10-13(15(19)18-9-5-8-12(18)16(20)21)17-14(22-10)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-9H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyJCVQBKGGHFDGGY-LBPRGKRZSA-N
MW300.31 g/mol
LogP2.34
Rot. Bonds3

About (2S)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 119365014) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (2S)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID119365014
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(2S)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1oc(-c2ccccc2)nc1C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C16H16N2O4/c1-10-13(15(19)18-9-5-8-12(18)16(20)21)17-14(22-10)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-9H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyJCVQBKGGHFDGGY-LBPRGKRZSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 129414997
(2R,3R)-2-methyl-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122114886
(2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 120537508
[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 94487085
(2R,3R)-1-[2-(3,4-dichlorophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122116834
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 27659602
6-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174861
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 95590099
N-[[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 71684875
(2R)-1-(5-phenyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921302
(2S)-1-(5-phenyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61136462
N-[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methanesulfonamide
CID 55478344

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 119365014) is (2S)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid is Cc1oc(-c2ccccc2)nc1C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is JCVQBKGGHFDGGY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-10-13(15(19)18-9-5-8-12(18)16(20)21)17-14(22-10)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-9H2,1H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 300.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119365014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).