4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzoic acid

C13H13ClN2O3 — CID 106389853

IUPAC4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzoic acid
SMILESCc1cnc(C(C)Nc2cc(Cl)ccc2C(=O)O)o1
InChIInChI=1S/C13H13ClN2O3/c1-7-6-15-12(19-7)8(2)16-11-5-9(14)3-4-10(11)13(17)18/h3-6,8,16H,1-2H3,(H,17,18)
InChIKeyDUOGUEXQWMCUSR-UHFFFAOYSA-N
MW280.71 g/mol
LogP3.51
Rot. Bonds4

About 4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzoic acid

4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzoic acid (PubChem CID 106389853) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzoic acid
PubChem CID106389853
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzoic acid
SMILESCc1cnc(C(C)Nc2cc(Cl)ccc2C(=O)O)o1
InChIInChI=1S/C13H13ClN2O3/c1-7-6-15-12(19-7)8(2)16-11-5-9(14)3-4-10(11)13(17)18/h3-6,8,16H,1-2H3,(H,17,18)
InChIKeyDUOGUEXQWMCUSR-UHFFFAOYSA-N
XLogP3.51
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzoic 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

4-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 114182279
4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile
CID 106544926
3-chloro-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzoic acid
CID 114182553
4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 63512040
2-[1-(4-bromophenyl)ethylamino]-4-chlorobenzoic acid
CID 63513944
2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine
CID 106387593
methyl 4-chloro-2-[1-(5-methylfuran-2-yl)ethylamino]benzoate
CID 43680654
3-chloro-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenecarbothioamide
CID 106388558
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine
CID 106544949
4-chloro-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 103949111
2-[1-(3-chlorophenyl)ethylamino]-4-methylbenzoic acid
CID 63511697
5-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitroaniline
CID 106388804

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzoic acid?
The IUPAC name of 4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzoic acid (CID 106389853) is 4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzoic acid?
The canonical SMILES for 4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzoic acid is Cc1cnc(C(C)Nc2cc(Cl)ccc2C(=O)O)o1.
What is the InChIKey of 4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzoic acid?
The InChIKey is DUOGUEXQWMCUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-7-6-15-12(19-7)8(2)16-11-5-9(14)3-4-10(11)13(17)18/h3-6,8,16H,1-2H3,(H,17,18).
What are the key properties of 4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzoic acid?
4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzoic acid has a molecular weight of 280.71 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzoic acid is sourced from PubChem (CID 106389853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).