2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylic acid

C13H13ClN2O3 — CID 150932316

IUPAC2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(NCCc2ccc(Cl)cc2)nc1C(=O)O
InChIInChI=1S/C13H13ClN2O3/c1-8-11(12(17)18)16-13(19-8)15-7-6-9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyLGHFPDHWKBALGV-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.99
Rot. Bonds5

About 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylic acid

2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 150932316) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID150932316
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(NCCc2ccc(Cl)cc2)nc1C(=O)O
InChIInChI=1S/C13H13ClN2O3/c1-8-11(12(17)18)16-13(19-8)15-7-6-9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyLGHFPDHWKBALGV-UHFFFAOYSA-N
XLogP2.99
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 135354190
CID 135354190
CID 155028064
CID 155028064
CID 84700826
CID 84700826
CID 104113104
CID 104113104
CID 104113120
CID 104113120
CID 104113576
CID 104113576
CID 110907885
CID 110907885
CID 113377150
CID 113377150

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylic acid (CID 150932316) is 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylic acid is Cc1oc(NCCc2ccc(Cl)cc2)nc1C(=O)O.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is LGHFPDHWKBALGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-8-11(12(17)18)16-13(19-8)15-7-6-9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylic acid?
2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 280.71 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-5-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 150932316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).