[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

C20H22N2O5 — CID 9104112

IUPAC[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESO=C(Cn1c(=O)oc2ccccc21)OCC(=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C20H22N2O5/c23-18(22(15-10-11-15)14-6-2-1-3-7-14)13-26-19(24)12-21-16-8-4-5-9-17(16)27-20(21)25/h4-6,8-9,15H,1-3,7,10-13H2
InChIKeyHFSLXHZONDBMAL-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.59
Rot. Bonds6

About [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (PubChem CID 9104112) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Name[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
PubChem CID9104112
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESO=C(Cn1c(=O)oc2ccccc21)OCC(=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C20H22N2O5/c23-18(22(15-10-11-15)14-6-2-1-3-7-14)13-26-19(24)12-21-16-8-4-5-9-17(16)27-20(21)25/h4-6,8-9,15H,1-3,7,10-13H2
InChIKeyHFSLXHZONDBMAL-UHFFFAOYSA-N
XLogP2.59
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate 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 [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The IUPAC name of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (CID 9104112) is [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.
What is the SMILES notation for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The canonical SMILES for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is O=C(Cn1c(=O)oc2ccccc21)OCC(=O)N(C1=CCCCC1)C1CC1.
What is the InChIKey of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The InChIKey is HFSLXHZONDBMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c23-18(22(15-10-11-15)14-6-2-1-3-7-14)13-26-19(24)12-21-16-8-4-5-9-17(16)27-20(21)25/h4-6,8-9,15H,1-3,7,10-13H2.
What are the key properties of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate has a molecular weight of 370.41 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is sourced from PubChem (CID 9104112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).