ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole

C17H19NO2 — CID 145409461

IUPACethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole
SMILESCC.COc1ccc(-c2nc3cccc(C)c3o2)cc1
InChIInChI=1S/C15H13NO2.C2H6/c1-10-4-3-5-13-14(10)18-15(16-13)11-6-8-12(17-2)9-7-11;1-2/h3-9H,1-2H3;1-2H3
InChIKeyZLYDWOXNUUUTEK-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.84
Rot. Bonds2

About ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole

ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole (PubChem CID 145409461) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole.

Molecular Properties

Compound Nameethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole
PubChem CID145409461
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Nameethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole
SMILESCC.COc1ccc(-c2nc3cccc(C)c3o2)cc1
InChIInChI=1S/C15H13NO2.C2H6/c1-10-4-3-5-13-14(10)18-15(16-13)11-6-8-12(17-2)9-7-11;1-2/h3-9H,1-2H3;1-2H3
InChIKeyZLYDWOXNUUUTEK-UHFFFAOYSA-N
XLogP4.84
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole
CID 15259011
2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
CID 134912266
4-[2-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 59228382
N-methyl-5-(7-methyl-1,3-benzoxazol-2-yl)pyridin-2-amine
CID 142272205
N,N-dimethyl-5-(7-methyl-1,3-benzoxazol-2-yl)pyridin-2-amine
CID 59679624
2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine
CID 56687162
[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol
CID 76851593
5,7-difluoro-2-(4-methoxyphenyl)-1,3-benzoxazole
CID 82233017
5-(7-methyl-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
CID 171512133
2,2,2-trifluoro-N-[2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide
CID 91676818
5-methoxy-2-(4-methoxyphenyl)-1,3-benzoxazole-7-carbonitrile
CID 22144541
2-(2-benzofuran-1-yl)-7-methyl-1,3-benzoxazole
CID 57321541

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole?
The IUPAC name of ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole (CID 145409461) is ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole.
What is the SMILES notation for ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole?
The canonical SMILES for ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole is CC.COc1ccc(-c2nc3cccc(C)c3o2)cc1.
What is the InChIKey of ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole?
The InChIKey is ZLYDWOXNUUUTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2.C2H6/c1-10-4-3-5-13-14(10)18-15(16-13)11-6-8-12(17-2)9-7-11;1-2/h3-9H,1-2H3;1-2H3.
What are the key properties of ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole?
ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole has a molecular weight of 269.34 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole is sourced from PubChem (CID 145409461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).