1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea

C15H19N3O2 — CID 110747198

IUPAC1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea
SMILESO=C(NCc1nc2ccccc2o1)NC1CCCCC1
InChIInChI=1S/C15H19N3O2/c19-15(17-11-6-2-1-3-7-11)16-10-14-18-12-8-4-5-9-13(12)20-14/h4-5,8-9,11H,1-3,6-7,10H2,(H2,16,17,19)
InChIKeyFLXSDDXAPZCTBE-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.96
Rot. Bonds3

About 1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea

1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea (PubChem CID 110747198) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea
PubChem CID110747198
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea
SMILESO=C(NCc1nc2ccccc2o1)NC1CCCCC1
InChIInChI=1S/C15H19N3O2/c19-15(17-11-6-2-1-3-7-11)16-10-14-18-12-8-4-5-9-13(12)20-14/h4-5,8-9,11H,1-3,6-7,10H2,(H2,16,17,19)
InChIKeyFLXSDDXAPZCTBE-UHFFFAOYSA-N
XLogP2.96
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzoxazol-2-ylmethyl)cyclohexanecarboxamide
CID 110711622
4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide
CID 33409511
4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide
CID 53078498
2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide
CID 146038837
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate
CID 8860037
1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 110660494
N-(1,3-benzoxazol-2-ylmethyl)-2-cyclopent-2-en-1-ylacetamide
CID 91761912
2-(1,3-benzoxazol-2-yl)-1-cyclooctylethanol
CID 66460866
N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide
CID 110711685
2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide
CID 8910060
N-(1,3-benzoxazol-2-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 91792073
1-cyclohexyl-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 94453343

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea?
The IUPAC name of 1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea (CID 110747198) is 1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea?
The canonical SMILES for 1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea is O=C(NCc1nc2ccccc2o1)NC1CCCCC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea?
The InChIKey is FLXSDDXAPZCTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-15(17-11-6-2-1-3-7-11)16-10-14-18-12-8-4-5-9-13(12)20-14/h4-5,8-9,11H,1-3,6-7,10H2,(H2,16,17,19).
What are the key properties of 1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea?
1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea has a molecular weight of 273.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea is sourced from PubChem (CID 110747198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).