2-(3-methylphenyl)benzo[e][1,3]benzoxazole

C18H13NO — CID 95911000

IUPAC2-(3-methylphenyl)benzo[e][1,3]benzoxazole
SMILESCc1cccc(-c2nc3c(ccc4ccccc43)o2)c1
InChIInChI=1S/C18H13NO/c1-12-5-4-7-14(11-12)18-19-17-15-8-3-2-6-13(15)9-10-16(17)20-18/h2-11H,1H3
InChIKeyJZCPUICQHGXNHX-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.96
Rot. Bonds1

About 2-(3-methylphenyl)benzo[e][1,3]benzoxazole

2-(3-methylphenyl)benzo[e][1,3]benzoxazole (PubChem CID 95911000) has the molecular formula C18H13NO and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(3-methylphenyl)benzo[e][1,3]benzoxazole.

Molecular Properties

Compound Name2-(3-methylphenyl)benzo[e][1,3]benzoxazole
PubChem CID95911000
Molecular FormulaC18H13NO
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC Name2-(3-methylphenyl)benzo[e][1,3]benzoxazole
SMILESCc1cccc(-c2nc3c(ccc4ccccc43)o2)c1
InChIInChI=1S/C18H13NO/c1-12-5-4-7-14(11-12)18-19-17-15-8-3-2-6-13(15)9-10-16(17)20-18/h2-11H,1H3
InChIKeyJZCPUICQHGXNHX-UHFFFAOYSA-N
XLogP4.96
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(3-methylphenoxy)acetamide
CID 40618366
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 39380313
5-benzo[e][1,3]benzoxazol-2-yl-2-bromoaniline
CID 91679227
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide
CID 3314222
N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-chloro-4-methylbenzamide
CID 3587754
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide
CID 1047424
6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
CID 17360080
N-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methylbenzamide
CID 1047427
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide
CID 40619533
5-chloro-2-(3-methylphenyl)-[1,3]oxazolo[4,5-b]pyridine
CID 84704658
2-pyren-1-ylbenzo[e][1,3]benzoxazole
CID 71545071
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)benzo[e][1,3]benzoxazole?
The IUPAC name of 2-(3-methylphenyl)benzo[e][1,3]benzoxazole (CID 95911000) is 2-(3-methylphenyl)benzo[e][1,3]benzoxazole.
What is the SMILES notation for 2-(3-methylphenyl)benzo[e][1,3]benzoxazole?
The canonical SMILES for 2-(3-methylphenyl)benzo[e][1,3]benzoxazole is Cc1cccc(-c2nc3c(ccc4ccccc43)o2)c1.
What is the InChIKey of 2-(3-methylphenyl)benzo[e][1,3]benzoxazole?
The InChIKey is JZCPUICQHGXNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO/c1-12-5-4-7-14(11-12)18-19-17-15-8-3-2-6-13(15)9-10-16(17)20-18/h2-11H,1H3.
What are the key properties of 2-(3-methylphenyl)benzo[e][1,3]benzoxazole?
2-(3-methylphenyl)benzo[e][1,3]benzoxazole has a molecular weight of 259.31 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)benzo[e][1,3]benzoxazole is sourced from PubChem (CID 95911000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).