(5-methyl-1,2-oxazol-3-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate

C16H16ClNO3 — CID 55384481

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate
SMILESCc1cc(COC(=O)C2(c3ccc(Cl)cc3)CCC2)no1
InChIInChI=1S/C16H16ClNO3/c1-11-9-14(18-21-11)10-20-15(19)16(7-2-8-16)12-3-5-13(17)6-4-12/h3-6,9H,2,7-8,10H2,1H3
InChIKeyFUBXKWBHSHDMDX-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.80
Rot. Bonds4

About (5-methyl-1,2-oxazol-3-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate

(5-methyl-1,2-oxazol-3-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate (PubChem CID 55384481) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate
PubChem CID55384481
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate
SMILESCc1cc(COC(=O)C2(c3ccc(Cl)cc3)CCC2)no1
InChIInChI=1S/C16H16ClNO3/c1-11-9-14(18-21-11)10-20-15(19)16(7-2-8-16)12-3-5-13(17)6-4-12/h3-6,9H,2,7-8,10H2,1H3
InChIKeyFUBXKWBHSHDMDX-UHFFFAOYSA-N
XLogP3.80
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-methyl-1,2-oxazol-3-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate 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 (5-methyl-1,2-oxazol-3-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate (CID 55384481) is (5-methyl-1,2-oxazol-3-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate is Cc1cc(COC(=O)C2(c3ccc(Cl)cc3)CCC2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate?
The InChIKey is FUBXKWBHSHDMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-11-9-14(18-21-11)10-20-15(19)16(7-2-8-16)12-3-5-13(17)6-4-12/h3-6,9H,2,7-8,10H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate?
(5-methyl-1,2-oxazol-3-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate has a molecular weight of 305.76 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 55384481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).