1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea

C13H21N3O2 — CID 6460835

IUPAC1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)NCCC2CCCCC2)no1
InChIInChI=1S/C13H21N3O2/c1-10-9-12(16-18-10)15-13(17)14-8-7-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyLJFOCXYYWHNVDK-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.07
Rot. Bonds4

About 1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea

1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 6460835) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID6460835
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)NCCC2CCCCC2)no1
InChIInChI=1S/C13H21N3O2/c1-10-9-12(16-18-10)15-13(17)14-8-7-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyLJFOCXYYWHNVDK-UHFFFAOYSA-N
XLogP3.07
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(oxolan-2-yl)ethyl]urea
CID 51076414
1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[(2S)-oxolan-2-yl]ethyl]urea
CID 32532589
1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812118
1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812112
1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 53499685
3-(cycloheptylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109031668
1-(2-cyclohexylethyl)-3-(2,4,6-trimethylphenyl)urea
CID 108888511
N-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine
CID 73349510
2-(cyclohexylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813408
ethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate
CID 108812202
1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94020812
2-[(2-chloroacetyl)-(cyclohexylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42770361

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 6460835) is 1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)NCCC2CCCCC2)no1.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is LJFOCXYYWHNVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-9-12(16-18-10)15-13(17)14-8-7-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H2,14,15,16,17).
What are the key properties of 1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 251.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 6460835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).