1-(2-ethylphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea

C18H19N3O2 — CID 20901555

IUPAC1-(2-ethylphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea
SMILESCCc1ccccc1NC(=O)NCc1noc2ccc(C)cc12
InChIInChI=1S/C18H19N3O2/c1-3-13-6-4-5-7-15(13)20-18(22)19-11-16-14-10-12(2)8-9-17(14)23-21-16/h4-10H,3,11H2,1-2H3,(H2,19,20,22)
InChIKeyJHKLPRYYDJKNKJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.02
Rot. Bonds4

About 1-(2-ethylphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea

1-(2-ethylphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea (PubChem CID 20901555) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea
PubChem CID20901555
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-(2-ethylphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea
SMILESCCc1ccccc1NC(=O)NCc1noc2ccc(C)cc12
InChIInChI=1S/C18H19N3O2/c1-3-13-6-4-5-7-15(13)20-18(22)19-11-16-14-10-12(2)8-9-17(14)23-21-16/h4-10H,3,11H2,1-2H3,(H2,19,20,22)
InChIKeyJHKLPRYYDJKNKJ-UHFFFAOYSA-N
XLogP4.02
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea
CID 6625903
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2-methylphenyl)acetamide
CID 22519860
N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457
2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoic acid
CID 108803274
2-(5-methyl-1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide
CID 22519774
1-(1,2-benzoxazol-3-ylmethyl)-3-(2,4-dimethoxyphenyl)urea
CID 20901312
1-(1,2-benzoxazol-3-ylmethyl)-3-(2,5-dimethoxyphenyl)urea
CID 20901323
1-[2-(cyclohexen-1-yl)ethyl]-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea
CID 20901467
1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131
N-[(4-chlorophenyl)methyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519867
1-(1,2-benzoxazol-3-ylmethyl)-3-(6-methyl-2-pyridinyl)urea
CID 46274745
(5-methyl-1,2-benzoxazol-3-yl)methanol
CID 119083461

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea?
The IUPAC name of 1-(2-ethylphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea (CID 20901555) is 1-(2-ethylphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea is CCc1ccccc1NC(=O)NCc1noc2ccc(C)cc12.
What is the InChIKey of 1-(2-ethylphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea?
The InChIKey is JHKLPRYYDJKNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-3-13-6-4-5-7-15(13)20-18(22)19-11-16-14-10-12(2)8-9-17(14)23-21-16/h4-10H,3,11H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(2-ethylphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea?
1-(2-ethylphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea has a molecular weight of 309.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea is sourced from PubChem (CID 20901555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).