[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

C16H20N2O4 — CID 75401976

IUPAC[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N(C2=CCCCC2)C2CC2)on1
InChIInChI=1S/C16H20N2O4/c1-11-9-14(22-17-11)16(20)21-10-15(19)18(13-7-8-13)12-5-3-2-4-6-12/h5,9,13H,2-4,6-8,10H2,1H3
InChIKeyDQAVVZNXVNFWJG-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.59
Rot. Bonds5

About [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (PubChem CID 75401976) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
PubChem CID75401976
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N(C2=CCCCC2)C2CC2)on1
InChIInChI=1S/C16H20N2O4/c1-11-9-14(22-17-11)16(20)21-10-15(19)18(13-7-8-13)12-5-3-2-4-6-12/h5,9,13H,2-4,6-8,10H2,1H3
InChIKeyDQAVVZNXVNFWJG-UHFFFAOYSA-N
XLogP2.59
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-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 [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (CID 75401976) is [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is Cc1cc(C(=O)OCC(=O)N(C2=CCCCC2)C2CC2)on1.
What is the InChIKey of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is DQAVVZNXVNFWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-11-9-14(22-17-11)16(20)21-10-15(19)18(13-7-8-13)12-5-3-2-4-6-12/h5,9,13H,2-4,6-8,10H2,1H3.
What are the key properties of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 75401976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).