5-[1-(cyclopentanecarbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

C19H22N2O5 — CID 162798343

IUPAC5-[1-(cyclopentanecarbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2noc(C(C)NC(=O)C3CCCC3)c2C(=O)O)cc1
InChIInChI=1S/C19H22N2O5/c1-11(20-18(22)13-5-3-4-6-13)17-15(19(23)24)16(21-26-17)12-7-9-14(25-2)10-8-12/h7-11,13H,3-6H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyUUJBEYBEVMNGGM-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.42
Rot. Bonds6

About 5-[1-(cyclopentanecarbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

5-[1-(cyclopentanecarbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 162798343) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 5-[1-(cyclopentanecarbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[1-(cyclopentanecarbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
PubChem CID162798343
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name5-[1-(cyclopentanecarbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2noc(C(C)NC(=O)C3CCCC3)c2C(=O)O)cc1
InChIInChI=1S/C19H22N2O5/c1-11(20-18(22)13-5-3-4-6-13)17-15(19(23)24)16(21-26-17)12-7-9-14(25-2)10-8-12/h7-11,13H,3-6H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyUUJBEYBEVMNGGM-UHFFFAOYSA-N
XLogP3.42
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368247
5-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 75368372
5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 163062920
5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 75368231
5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 75368292
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 7449585
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 91635790
5-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368325
3-(4-methoxyphenyl)-5-[(1R)-1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368239
3-(4-chlorophenyl)-5-[(1R)-1-(cyclopentylmethylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368201
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 126459659
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 43927574

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopentanecarbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[1-(cyclopentanecarbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid (CID 162798343) is 5-[1-(cyclopentanecarbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[1-(cyclopentanecarbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[1-(cyclopentanecarbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid is COc1ccc(-c2noc(C(C)NC(=O)C3CCCC3)c2C(=O)O)cc1.
What is the InChIKey of 5-[1-(cyclopentanecarbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is UUJBEYBEVMNGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-11(20-18(22)13-5-3-4-6-13)17-15(19(23)24)16(21-26-17)12-7-9-14(25-2)10-8-12/h7-11,13H,3-6H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 5-[1-(cyclopentanecarbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
5-[1-(cyclopentanecarbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 358.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopentanecarbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 162798343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).