1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-cyclohexylurea

C16H18ClN3O2 — CID 112503079

IUPAC1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-cyclohexylurea
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)no1)NC1CCCCC1
InChIInChI=1S/C16H18ClN3O2/c17-12-8-6-11(7-9-12)14-10-15(22-20-14)19-16(21)18-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H2,18,19,21)
InChIKeyHCGOQJCXSABVJU-UHFFFAOYSA-N
MW319.79 g/mol
LogP4.45
Rot. Bonds3

About 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-cyclohexylurea

1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-cyclohexylurea (PubChem CID 112503079) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-cyclohexylurea
PubChem CID112503079
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-cyclohexylurea
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)no1)NC1CCCCC1
InChIInChI=1S/C16H18ClN3O2/c17-12-8-6-11(7-9-12)14-10-15(22-20-14)19-16(21)18-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H2,18,19,21)
InChIKeyHCGOQJCXSABVJU-UHFFFAOYSA-N
XLogP4.45
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide
CID 112503058
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide
CID 112503051
5-(4-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide
CID 17252724
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
ethyl 3-[4-(cyclohexylcarbamoylamino)phenyl]-1,2-oxazole-5-carboxylate
CID 67354653
1-[(3-chlorophenyl)methyl]-3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]urea
CID 110302343
(3S)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 35042577
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16771427
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812610

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-cyclohexylurea?
The IUPAC name of 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-cyclohexylurea (CID 112503079) is 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-cyclohexylurea.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-cyclohexylurea?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-cyclohexylurea is O=C(Nc1cc(-c2ccc(Cl)cc2)no1)NC1CCCCC1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-cyclohexylurea?
The InChIKey is HCGOQJCXSABVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-12-8-6-11(7-9-12)14-10-15(22-20-14)19-16(21)18-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H2,18,19,21).
What are the key properties of 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-cyclohexylurea?
1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-cyclohexylurea has a molecular weight of 319.79 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-cyclohexylurea is sourced from PubChem (CID 112503079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).