5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid

C17H18N2O5 — CID 85274193

IUPAC5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(C2CCCN2C(=O)OCc2ccccc2)nc1C(=O)O
InChIInChI=1S/C17H18N2O5/c1-11-14(16(20)21)18-15(24-11)13-8-5-9-19(13)17(22)23-10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H,20,21)
InChIKeyKTEHJUOQDRVAAC-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.15
Rot. Bonds4

About 5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid

5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 85274193) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID85274193
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(C2CCCN2C(=O)OCc2ccccc2)nc1C(=O)O
InChIInChI=1S/C17H18N2O5/c1-11-14(16(20)21)18-15(24-11)13-8-5-9-19(13)17(22)23-10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H,20,21)
InChIKeyKTEHJUOQDRVAAC-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 59548510
benzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 57196602
5-methyl-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid
CID 10851449
benzyl (2S)-2-(5-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 129126731
benzyl (2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate
CID 66855550
benzyl (2S)-2-(6-pentyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylate
CID 68573073
benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate
CID 14814122
benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate
CID 175376417
5-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid
CID 125453058
3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 66624873
benzyl 2-(oxiran-2-yl)pyrrolidine-1-carboxylate
CID 21051103
benzyl 2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylate
CID 175062089

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid (CID 85274193) is 5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid is Cc1oc(C2CCCN2C(=O)OCc2ccccc2)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is KTEHJUOQDRVAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-11-14(16(20)21)18-15(24-11)13-8-5-9-19(13)17(22)23-10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H,20,21).
What are the key properties of 5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid?
5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 85274193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).