1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,5-dimethoxyphenyl)-1-methylurea

C20H28N4O4 — CID 53055100

IUPAC1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,5-dimethoxyphenyl)-1-methylurea
SMILESCOc1cc(NC(=O)N(C)CCc2noc(C3CCCCC3)n2)cc(OC)c1
InChIInChI=1S/C20H28N4O4/c1-24(20(25)21-15-11-16(26-2)13-17(12-15)27-3)10-9-18-22-19(28-23-18)14-7-5-4-6-8-14/h11-14H,4-10H2,1-3H3,(H,21,25)
InChIKeyOPJXMOIHPMJLBF-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.84
Rot. Bonds7

About 1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,5-dimethoxyphenyl)-1-methylurea

1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,5-dimethoxyphenyl)-1-methylurea (PubChem CID 53055100) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,5-dimethoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,5-dimethoxyphenyl)-1-methylurea
PubChem CID53055100
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,5-dimethoxyphenyl)-1-methylurea
SMILESCOc1cc(NC(=O)N(C)CCc2noc(C3CCCCC3)n2)cc(OC)c1
InChIInChI=1S/C20H28N4O4/c1-24(20(25)21-15-11-16(26-2)13-17(12-15)27-3)10-9-18-22-19(28-23-18)14-7-5-4-6-8-14/h11-14H,4-10H2,1-3H3,(H,21,25)
InChIKeyOPJXMOIHPMJLBF-UHFFFAOYSA-N
XLogP3.84
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,5-dimethoxyphenyl)-1-methylurea with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-ethylphenyl)-1-methylurea
CID 53055084
3-(3-chloro-4-methylphenyl)-1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylurea
CID 53055086
1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-ethylphenyl)-1-methylurea
CID 53055097
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methyl-3-(thiadiazol-5-yl)urea
CID 72914208
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide
CID 46290783
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-N-methylbenzamide
CID 53055562
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-phenylsulfanylacetamide
CID 53055557
1-cyclohexyl-3-(3,5-dimethoxyphenyl)-1-prop-2-enylurea
CID 3597378
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1H-indazol-4-yl)-1-methylurea
CID 118773141
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(6-methoxy-3-pyridinyl)urea
CID 118760709
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 90564704
1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
CID 72850511

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,5-dimethoxyphenyl)-1-methylurea?
The IUPAC name of 1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,5-dimethoxyphenyl)-1-methylurea (CID 53055100) is 1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,5-dimethoxyphenyl)-1-methylurea.
What is the SMILES notation for 1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,5-dimethoxyphenyl)-1-methylurea?
The canonical SMILES for 1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,5-dimethoxyphenyl)-1-methylurea is COc1cc(NC(=O)N(C)CCc2noc(C3CCCCC3)n2)cc(OC)c1.
What is the InChIKey of 1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,5-dimethoxyphenyl)-1-methylurea?
The InChIKey is OPJXMOIHPMJLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-24(20(25)21-15-11-16(26-2)13-17(12-15)27-3)10-9-18-22-19(28-23-18)14-7-5-4-6-8-14/h11-14H,4-10H2,1-3H3,(H,21,25).
What are the key properties of 1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,5-dimethoxyphenyl)-1-methylurea?
1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,5-dimethoxyphenyl)-1-methylurea has a molecular weight of 388.47 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,5-dimethoxyphenyl)-1-methylurea is sourced from PubChem (CID 53055100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).