2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]acetic acid

C13H13ClN2O4S — CID 120581040

IUPAC2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C13H13ClN2O4S/c1-7(2)16(6-12(17)18)13(19)8-5-9(20-15-8)10-3-4-11(14)21-10/h3-5,7H,6H2,1-2H3,(H,17,18)
InChIKeyHMHGOFNDGWJRAI-UHFFFAOYSA-N
MW328.78 g/mol
LogP2.99
Rot. Bonds5

About 2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]acetic acid

2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]acetic acid (PubChem CID 120581040) has the molecular formula C13H13ClN2O4S and a molecular weight of 328.78 g/mol. Its IUPAC name is 2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]acetic acid
PubChem CID120581040
Molecular FormulaC13H13ClN2O4S
Molecular Weight328.78 g/mol
Exact Mass328.03
IUPAC Name2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C13H13ClN2O4S/c1-7(2)16(6-12(17)18)13(19)8-5-9(20-15-8)10-3-4-11(14)21-10/h3-5,7H,6H2,1-2H3,(H,17,18)
InChIKeyHMHGOFNDGWJRAI-UHFFFAOYSA-N
XLogP2.99
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-4-methylpentyl)-5-(5-chlorothiophen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide
CID 119657908
5-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-1,2-oxazole-3-carboxamide
CID 111433417
N-(1-amino-4-methylpentan-2-yl)-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide
CID 119585912
5-(5-chlorothiophen-2-yl)-N-(1-hydroxybutan-2-yl)-1,2-oxazole-3-carboxamide
CID 110890141
2-[(7-chloroquinoline-2-carbonyl)-propan-2-ylamino]acetic acid
CID 120518190
2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid
CID 103116547
2-[[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetic acid
CID 119198555
2-[3-(5-chlorothiophen-2-yl)prop-2-enoyl-propan-2-ylamino]acetic acid
CID 76882179
5-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 120943202
2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
CID 119205035
2-[(2-amino-2-oxoethyl)-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 107434740
5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 119510511

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]acetic acid (CID 120581040) is 2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)c1cc(-c2ccc(Cl)s2)on1.
What is the InChIKey of 2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]acetic acid?
The InChIKey is HMHGOFNDGWJRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S/c1-7(2)16(6-12(17)18)13(19)8-5-9(20-15-8)10-3-4-11(14)21-10/h3-5,7H,6H2,1-2H3,(H,17,18).
What are the key properties of 2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]acetic acid?
2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]acetic acid has a molecular weight of 328.78 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 120581040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).