5-(4-chlorophenyl)-3-(2-methoxybutylamino)-1,2-oxazole-4-carboxylic acid

C15H17ClN2O4 — CID 163308093

IUPAC5-(4-chlorophenyl)-3-(2-methoxybutylamino)-1,2-oxazole-4-carboxylic acid
SMILESCCC(CNc1noc(-c2ccc(Cl)cc2)c1C(=O)O)OC
InChIInChI=1S/C15H17ClN2O4/c1-3-11(21-2)8-17-14-12(15(19)20)13(22-18-14)9-4-6-10(16)7-5-9/h4-7,11H,3,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyNEDBFMNKOFLAGV-UHFFFAOYSA-N
MW324.76 g/mol
LogP3.53
Rot. Bonds7

About 5-(4-chlorophenyl)-3-(2-methoxybutylamino)-1,2-oxazole-4-carboxylic acid

5-(4-chlorophenyl)-3-(2-methoxybutylamino)-1,2-oxazole-4-carboxylic acid (PubChem CID 163308093) has the molecular formula C15H17ClN2O4 and a molecular weight of 324.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(2-methoxybutylamino)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(2-methoxybutylamino)-1,2-oxazole-4-carboxylic acid
PubChem CID163308093
Molecular FormulaC15H17ClN2O4
Molecular Weight324.76 g/mol
Exact Mass324.09
IUPAC Name5-(4-chlorophenyl)-3-(2-methoxybutylamino)-1,2-oxazole-4-carboxylic acid
SMILESCCC(CNc1noc(-c2ccc(Cl)cc2)c1C(=O)O)OC
InChIInChI=1S/C15H17ClN2O4/c1-3-11(21-2)8-17-14-12(15(19)20)13(22-18-14)9-4-6-10(16)7-5-9/h4-7,11H,3,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyNEDBFMNKOFLAGV-UHFFFAOYSA-N
XLogP3.53
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-aminopropylamino)-5-(4-chlorophenyl)-1,2-oxazole-4-carboxylic acid
CID 163314238
5-(4-chlorophenyl)-3-[1-(4-methylsulfonylphenyl)propylamino]-1,2-oxazole-4-carboxylic acid
CID 163316333
3-[[3-(dimethylamino)-2-methylpropyl]amino]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 135117861
5-(4-chlorophenyl)-3-[[3-(2-methoxyethyl)imidazol-4-yl]methylamino]-1,2-oxazole-4-carboxylic acid
CID 163315392
5-(4-chlorophenyl)-3-[3-(1-methylpyrazol-4-yl)propylamino]-1,2-oxazole-4-carboxylic acid
CID 163310431
5-(4-chlorophenyl)-3-(4-pyrazol-1-ylbutan-2-ylamino)-1,2-oxazole-4-carboxylic acid
CID 163305096
5-(4-chlorophenyl)-3-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]-1,2-oxazole-4-carboxylic acid
CID 135096426
[4,4-bis(hydroxymethyl)piperidin-1-yl]-[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]methanone
CID 135101386
5-(4-fluoro-3-methoxyphenyl)-3-[(3-methoxy-3-methylbutyl)amino]-1,2-oxazole-4-carboxylic acid
CID 135109070
3-[1-(2-ethyl-1,2,4-triazol-3-yl)propylamino]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 163313532
5-(4-chlorophenyl)-N-(cyclobutylmethyl)-3-(2-methoxyethylamino)-1,2-oxazole-4-carboxamide
CID 135104886
[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-(3-methoxypiperidin-1-yl)methanone
CID 135095764

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(2-methoxybutylamino)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-3-(2-methoxybutylamino)-1,2-oxazole-4-carboxylic acid (CID 163308093) is 5-(4-chlorophenyl)-3-(2-methoxybutylamino)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(2-methoxybutylamino)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-3-(2-methoxybutylamino)-1,2-oxazole-4-carboxylic acid is CCC(CNc1noc(-c2ccc(Cl)cc2)c1C(=O)O)OC.
What is the InChIKey of 5-(4-chlorophenyl)-3-(2-methoxybutylamino)-1,2-oxazole-4-carboxylic acid?
The InChIKey is NEDBFMNKOFLAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4/c1-3-11(21-2)8-17-14-12(15(19)20)13(22-18-14)9-4-6-10(16)7-5-9/h4-7,11H,3,8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-(4-chlorophenyl)-3-(2-methoxybutylamino)-1,2-oxazole-4-carboxylic acid?
5-(4-chlorophenyl)-3-(2-methoxybutylamino)-1,2-oxazole-4-carboxylic acid has a molecular weight of 324.76 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(2-methoxybutylamino)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 163308093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).