1-cyclohexyl-3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methylurea

C18H21Cl2N3O2 — CID 2743041

IUPAC1-cyclohexyl-3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methylurea
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)N(C)C1CCCCC1
InChIInChI=1S/C18H21Cl2N3O2/c1-11-16(21-18(24)23(2)12-7-4-3-5-8-12)17(22-25-11)15-13(19)9-6-10-14(15)20/h6,9-10,12H,3-5,7-8H2,1-2H3,(H,21,24)
InChIKeyPBAXDSGSABCFCX-UHFFFAOYSA-N
MW382.29 g/mol
LogP5.75
Rot. Bonds3

About 1-cyclohexyl-3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methylurea

1-cyclohexyl-3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methylurea (PubChem CID 2743041) has the molecular formula C18H21Cl2N3O2 and a molecular weight of 382.29 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methylurea
PubChem CID2743041
Molecular FormulaC18H21Cl2N3O2
Molecular Weight382.29 g/mol
Exact Mass381.10
IUPAC Name1-cyclohexyl-3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methylurea
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)N(C)C1CCCCC1
InChIInChI=1S/C18H21Cl2N3O2/c1-11-16(21-18(24)23(2)12-7-4-3-5-8-12)17(22-25-11)15-13(19)9-6-10-14(15)20/h6,9-10,12H,3-5,7-8H2,1-2H3,(H,21,24)
InChIKeyPBAXDSGSABCFCX-UHFFFAOYSA-N
XLogP5.75
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.29
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-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

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methylurea?
The IUPAC name of 1-cyclohexyl-3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methylurea (CID 2743041) is 1-cyclohexyl-3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methylurea.
What is the SMILES notation for 1-cyclohexyl-3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methylurea?
The canonical SMILES for 1-cyclohexyl-3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methylurea is Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)N(C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methylurea?
The InChIKey is PBAXDSGSABCFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O2/c1-11-16(21-18(24)23(2)12-7-4-3-5-8-12)17(22-25-11)15-13(19)9-6-10-14(15)20/h6,9-10,12H,3-5,7-8H2,1-2H3,(H,21,24).
What are the key properties of 1-cyclohexyl-3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methylurea?
1-cyclohexyl-3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methylurea has a molecular weight of 382.29 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-methylurea is sourced from PubChem (CID 2743041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).