3-(1,2-benzoxazol-3-ylmethyl)-1-cyclohexyl-1-methylurea

C16H21N3O2 — CID 20901318

IUPAC3-(1,2-benzoxazol-3-ylmethyl)-1-cyclohexyl-1-methylurea
SMILESCN(C(=O)NCc1noc2ccccc12)C1CCCCC1
InChIInChI=1S/C16H21N3O2/c1-19(12-7-3-2-4-8-12)16(20)17-11-14-13-9-5-6-10-15(13)21-18-14/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,17,20)
InChIKeyJLTVUTHNIHGXCE-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.30
Rot. Bonds3

About 3-(1,2-benzoxazol-3-ylmethyl)-1-cyclohexyl-1-methylurea

3-(1,2-benzoxazol-3-ylmethyl)-1-cyclohexyl-1-methylurea (PubChem CID 20901318) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(1,2-benzoxazol-3-ylmethyl)-1-cyclohexyl-1-methylurea.

Molecular Properties

Compound Name3-(1,2-benzoxazol-3-ylmethyl)-1-cyclohexyl-1-methylurea
PubChem CID20901318
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(1,2-benzoxazol-3-ylmethyl)-1-cyclohexyl-1-methylurea
SMILESCN(C(=O)NCc1noc2ccccc12)C1CCCCC1
InChIInChI=1S/C16H21N3O2/c1-19(12-7-3-2-4-8-12)16(20)17-11-14-13-9-5-6-10-15(13)21-18-14/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,17,20)
InChIKeyJLTVUTHNIHGXCE-UHFFFAOYSA-N
XLogP3.30
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,2-benzoxazol-3-ylmethyl)-1-benzyl-1-methylurea
CID 46274750
3-(1,2-benzoxazol-3-ylmethyl)-1-methyl-1-(2-methylphenyl)urea
CID 20901345
N-(4-aminocyclohexyl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
CID 79113125
N-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide
CID 46274751
3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea
CID 108897626
2-(1,2-benzoxazol-3-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119444392
1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea
CID 108898085
N-(1,2-benzoxazol-3-ylmethyl)-3-phenylpyrrolidine-1-carboxamide
CID 20901384
1-(1,2-benzoxazol-3-ylmethyl)-3-(2-cyclopropyl-2-hydroxypropyl)urea
CID 138004737
3-(1,2-benzoxazol-3-ylmethyl)-1-(2-methylphenyl)-1-propylurea
CID 20901337
2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
CID 71935457
N-(1,2-benzoxazol-3-ylmethyl)-2,4-dimethyl-5-oxopiperazine-1-carboxamide
CID 138004745

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-benzoxazol-3-ylmethyl)-1-cyclohexyl-1-methylurea?
The IUPAC name of 3-(1,2-benzoxazol-3-ylmethyl)-1-cyclohexyl-1-methylurea (CID 20901318) is 3-(1,2-benzoxazol-3-ylmethyl)-1-cyclohexyl-1-methylurea.
What is the SMILES notation for 3-(1,2-benzoxazol-3-ylmethyl)-1-cyclohexyl-1-methylurea?
The canonical SMILES for 3-(1,2-benzoxazol-3-ylmethyl)-1-cyclohexyl-1-methylurea is CN(C(=O)NCc1noc2ccccc12)C1CCCCC1.
What is the InChIKey of 3-(1,2-benzoxazol-3-ylmethyl)-1-cyclohexyl-1-methylurea?
The InChIKey is JLTVUTHNIHGXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19(12-7-3-2-4-8-12)16(20)17-11-14-13-9-5-6-10-15(13)21-18-14/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,17,20).
What are the key properties of 3-(1,2-benzoxazol-3-ylmethyl)-1-cyclohexyl-1-methylurea?
3-(1,2-benzoxazol-3-ylmethyl)-1-cyclohexyl-1-methylurea has a molecular weight of 287.36 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-benzoxazol-3-ylmethyl)-1-cyclohexyl-1-methylurea is sourced from PubChem (CID 20901318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).