5-methoxy-2-methyl-7-(4-methylphenyl)-1,3-benzoxazole

C16H15NO2 — CID 131849037

IUPAC5-methoxy-2-methyl-7-(4-methylphenyl)-1,3-benzoxazole
SMILESCOc1cc(-c2ccc(C)cc2)c2oc(C)nc2c1
InChIInChI=1S/C16H15NO2/c1-10-4-6-12(7-5-10)14-8-13(18-3)9-15-16(14)19-11(2)17-15/h4-9H,1-3H3
InChIKeyJYYBMWQQGOPYRC-UHFFFAOYSA-N
MW253.30 g/mol
LogP4.12
Rot. Bonds2

About 5-methoxy-2-methyl-7-(4-methylphenyl)-1,3-benzoxazole

5-methoxy-2-methyl-7-(4-methylphenyl)-1,3-benzoxazole (PubChem CID 131849037) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-methoxy-2-methyl-7-(4-methylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-methoxy-2-methyl-7-(4-methylphenyl)-1,3-benzoxazole
PubChem CID131849037
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name5-methoxy-2-methyl-7-(4-methylphenyl)-1,3-benzoxazole
SMILESCOc1cc(-c2ccc(C)cc2)c2oc(C)nc2c1
InChIInChI=1S/C16H15NO2/c1-10-4-6-12(7-5-10)14-8-13(18-3)9-15-16(14)19-11(2)17-15/h4-9H,1-3H3
InChIKeyJYYBMWQQGOPYRC-UHFFFAOYSA-N
XLogP4.12
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-7-[2-[(5-methoxy-2-methyl-1,3-benzoxazol-7-yl)methyl]prop-2-enyl]-2-methyl-1,3-benzoxazole
CID 11057943
ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 176938802
ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 145041643
2-methyl-6-(4-methylphenyl)-1,3-benzoxazol-5-ol
CID 12886751
1-(113C)methoxy-4-methylbenzene
CID 166176950
2-methyl-7-[2-[[2-methyl-5-(4-methylphenyl)-1,3-benzoxazol-7-yl]methyl]prop-2-enyl]-5-(4-methylphenyl)-1,3-benzoxazole
CID 101135064
[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol
CID 76851593
2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine
CID 56687162
6-methoxy-2-methyl-4-(4-methylphenyl)quinoline
CID 101221850
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
4-(7-bromo-5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 50849277
5-methoxy-2-(4-methoxyphenyl)-1,3-benzoxazole-7-carbonitrile
CID 22144541

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-7-(4-methylphenyl)-1,3-benzoxazole?
The IUPAC name of 5-methoxy-2-methyl-7-(4-methylphenyl)-1,3-benzoxazole (CID 131849037) is 5-methoxy-2-methyl-7-(4-methylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 5-methoxy-2-methyl-7-(4-methylphenyl)-1,3-benzoxazole?
The canonical SMILES for 5-methoxy-2-methyl-7-(4-methylphenyl)-1,3-benzoxazole is COc1cc(-c2ccc(C)cc2)c2oc(C)nc2c1.
What is the InChIKey of 5-methoxy-2-methyl-7-(4-methylphenyl)-1,3-benzoxazole?
The InChIKey is JYYBMWQQGOPYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-10-4-6-12(7-5-10)14-8-13(18-3)9-15-16(14)19-11(2)17-15/h4-9H,1-3H3.
What are the key properties of 5-methoxy-2-methyl-7-(4-methylphenyl)-1,3-benzoxazole?
5-methoxy-2-methyl-7-(4-methylphenyl)-1,3-benzoxazole has a molecular weight of 253.30 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-7-(4-methylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 131849037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).