6-methyl-2-(3-methylphenyl)-1,3-benzoxazole

C15H13NO — CID 17360080

IUPAC6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
SMILESCc1cccc(-c2nc3ccc(C)cc3o2)c1
InChIInChI=1S/C15H13NO/c1-10-4-3-5-12(8-10)15-16-13-7-6-11(2)9-14(13)17-15/h3-9H,1-2H3
InChIKeyFKYZZCINGYOLHW-UHFFFAOYSA-N
MW223.27 g/mol
LogP4.11
Rot. Bonds1

About 6-methyl-2-(3-methylphenyl)-1,3-benzoxazole

6-methyl-2-(3-methylphenyl)-1,3-benzoxazole (PubChem CID 17360080) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 6-methyl-2-(3-methylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
PubChem CID17360080
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
SMILESCc1cccc(-c2nc3ccc(C)cc3o2)c1
InChIInChI=1S/C15H13NO/c1-10-4-3-5-12(8-10)15-16-13-7-6-11(2)9-14(13)17-15/h3-9H,1-2H3
InChIKeyFKYZZCINGYOLHW-UHFFFAOYSA-N
XLogP4.11
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole
CID 135041335
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
N-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]formamide
CID 168654349
(2R)-2-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]propanoic acid
CID 125495241
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 162036197
2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)aniline
CID 55158304
[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methylazanium
CID 7339766
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide
CID 3125064
heptan-1-ol;3-(6-methyl-1,3-benzoxazol-2-yl)benzoic acid
CID 143910344
7-bromo-2-(3-methylphenyl)-1,3-benzoxazole
CID 82233864
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylphenyl)-1,3-benzoxazole?
The IUPAC name of 6-methyl-2-(3-methylphenyl)-1,3-benzoxazole (CID 17360080) is 6-methyl-2-(3-methylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 6-methyl-2-(3-methylphenyl)-1,3-benzoxazole?
The canonical SMILES for 6-methyl-2-(3-methylphenyl)-1,3-benzoxazole is Cc1cccc(-c2nc3ccc(C)cc3o2)c1.
What is the InChIKey of 6-methyl-2-(3-methylphenyl)-1,3-benzoxazole?
The InChIKey is FKYZZCINGYOLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-10-4-3-5-12(8-10)15-16-13-7-6-11(2)9-14(13)17-15/h3-9H,1-2H3.
What are the key properties of 6-methyl-2-(3-methylphenyl)-1,3-benzoxazole?
6-methyl-2-(3-methylphenyl)-1,3-benzoxazole has a molecular weight of 223.27 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 17360080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).