(2R)-1-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid

C17H18N2O5 — CID 129414997

IUPAC(2R)-1-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)O)c(C)o2)cc1
InChIInChI=1S/C17H18N2O5/c1-10-14(16(20)19-9-3-4-13(19)17(21)22)18-15(24-10)11-5-7-12(23-2)8-6-11/h5-8,13H,3-4,9H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyDHCXUBGQLFNCSE-CYBMUJFWSA-N
MW330.34 g/mol
LogP2.35
Rot. Bonds4

About (2R)-1-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 129414997) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is (2R)-1-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID129414997
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name(2R)-1-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)O)c(C)o2)cc1
InChIInChI=1S/C17H18N2O5/c1-10-14(16(20)19-9-3-4-13(19)17(21)22)18-15(24-10)11-5-7-12(23-2)8-6-11/h5-8,13H,3-4,9H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyDHCXUBGQLFNCSE-CYBMUJFWSA-N
XLogP2.35
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365014
(2R,3R)-2-methyl-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122114886
1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355418
(2R,3R)-1-[2-(3,4-dichlorophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122116834
(2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 120537508
(2S)-1-(4-methoxybenzenecarbothioyl)pyrrolidine-2-carboxylic acid
CID 102501932
1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 119175727
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 24691683
1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355909
(2R)-1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370974
(2R)-1-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371551
[1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone
CID 110394976

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid (CID 129414997) is (2R)-1-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid is COc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)O)c(C)o2)cc1.
What is the InChIKey of (2R)-1-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is DHCXUBGQLFNCSE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-10-14(16(20)19-9-3-4-13(19)17(21)22)18-15(24-10)11-5-7-12(23-2)8-6-11/h5-8,13H,3-4,9H2,1-2H3,(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-1-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 129414997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).