(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate

C14H15ClN4O4 — CID 24648260

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
SMILESCc1noc(COC(=O)CC(NC(N)=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H15ClN4O4/c1-8-17-12(23-19-8)7-22-13(20)6-11(18-14(16)21)9-2-4-10(15)5-3-9/h2-5,11H,6-7H2,1H3,(H3,16,18,21)
InChIKeyQTWNEBJSLGILTI-UHFFFAOYSA-N
MW338.75 g/mol
LogP1.87
Rot. Bonds6

About (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate

(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate (PubChem CID 24648260) has the molecular formula C14H15ClN4O4 and a molecular weight of 338.75 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
PubChem CID24648260
Molecular FormulaC14H15ClN4O4
Molecular Weight338.75 g/mol
Exact Mass338.08
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
SMILESCc1noc(COC(=O)CC(NC(N)=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H15ClN4O4/c1-8-17-12(23-19-8)7-22-13(20)6-11(18-14(16)21)9-2-4-10(15)5-3-9/h2-5,11H,6-7H2,1H3,(H3,16,18,21)
InChIKeyQTWNEBJSLGILTI-UHFFFAOYSA-N
XLogP1.87
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate (CID 24648260) is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate is Cc1noc(COC(=O)CC(NC(N)=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate?
The InChIKey is QTWNEBJSLGILTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O4/c1-8-17-12(23-19-8)7-22-13(20)6-11(18-14(16)21)9-2-4-10(15)5-3-9/h2-5,11H,6-7H2,1H3,(H3,16,18,21).
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate?
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate has a molecular weight of 338.75 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate is sourced from PubChem (CID 24648260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).