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

C20H28N4O2 — CID 53055097

IUPAC1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-ethylphenyl)-1-methylurea
SMILESCCc1ccccc1NC(=O)N(C)CCc1noc(C2CCCCC2)n1
InChIInChI=1S/C20H28N4O2/c1-3-15-9-7-8-12-17(15)21-20(25)24(2)14-13-18-22-19(26-23-18)16-10-5-4-6-11-16/h7-9,12,16H,3-6,10-11,13-14H2,1-2H3,(H,21,25)
InChIKeyTXZINNPFJUBLKL-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.39
Rot. Bonds6

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

1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-ethylphenyl)-1-methylurea (PubChem CID 53055097) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-ethylphenyl)-1-methylurea.

Molecular Properties

Compound Name1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-ethylphenyl)-1-methylurea
PubChem CID53055097
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-ethylphenyl)-1-methylurea
SMILESCCc1ccccc1NC(=O)N(C)CCc1noc(C2CCCCC2)n1
InChIInChI=1S/C20H28N4O2/c1-3-15-9-7-8-12-17(15)21-20(25)24(2)14-13-18-22-19(26-23-18)16-10-5-4-6-11-16/h7-9,12,16H,3-6,10-11,13-14H2,1-2H3,(H,21,25)
InChIKeyTXZINNPFJUBLKL-UHFFFAOYSA-N
XLogP4.39
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-ethylphenyl)-1-methylurea?
The IUPAC name of 1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-ethylphenyl)-1-methylurea (CID 53055097) is 1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-ethylphenyl)-1-methylurea.
What is the SMILES notation for 1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-ethylphenyl)-1-methylurea?
The canonical SMILES for 1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-ethylphenyl)-1-methylurea is CCc1ccccc1NC(=O)N(C)CCc1noc(C2CCCCC2)n1.
What is the InChIKey of 1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-ethylphenyl)-1-methylurea?
The InChIKey is TXZINNPFJUBLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-3-15-9-7-8-12-17(15)21-20(25)24(2)14-13-18-22-19(26-23-18)16-10-5-4-6-11-16/h7-9,12,16H,3-6,10-11,13-14H2,1-2H3,(H,21,25).
What are the key properties of 1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-ethylphenyl)-1-methylurea?
1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-ethylphenyl)-1-methylurea has a molecular weight of 356.47 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-ethylphenyl)-1-methylurea is sourced from PubChem (CID 53055097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).