5-(7-methyl-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol

C17H17NO2 — CID 171512133

IUPAC5-(7-methyl-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
SMILESCc1cccc2nc(-c3ccc(C(C)C)c(O)c3)oc12
InChIInChI=1S/C17H17NO2/c1-10(2)13-8-7-12(9-15(13)19)17-18-14-6-4-5-11(3)16(14)20-17/h4-10,19H,1-3H3
InChIKeyAUUXYDZJWHSEDK-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.63
Rot. Bonds2

About 5-(7-methyl-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol

5-(7-methyl-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol (PubChem CID 171512133) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-(7-methyl-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol.

Molecular Properties

Compound Name5-(7-methyl-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
PubChem CID171512133
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name5-(7-methyl-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
SMILESCc1cccc2nc(-c3ccc(C(C)C)c(O)c3)oc12
InChIInChI=1S/C17H17NO2/c1-10(2)13-8-7-12(9-15(13)19)17-18-14-6-4-5-11(3)16(14)20-17/h4-10,19H,1-3H3
InChIKeyAUUXYDZJWHSEDK-UHFFFAOYSA-N
XLogP4.63
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole
CID 15259011
5-(6-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
CID 171512130
5-(4-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
CID 171512125
ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole
CID 145409461
2-(2-methylphenyl)-1,3-benzoxazol-7-ol
CID 84689691
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
4-[2-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 59228382
2-(2-benzofuran-1-yl)-7-methyl-1,3-benzoxazole
CID 57321541
6,7-dimethyl-2-(4-propan-2-ylphenyl)-1,3-benzoxazole
CID 95910925
7-bromo-2-(3-methylphenyl)-1,3-benzoxazole
CID 82233864
5-(1,3-benzoxazol-2-yl)-2-propan-2-ylpyridin-3-ol
CID 168882947

Frequently Asked Questions

What is the IUPAC name of 5-(7-methyl-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol?
The IUPAC name of 5-(7-methyl-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol (CID 171512133) is 5-(7-methyl-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol.
What is the SMILES notation for 5-(7-methyl-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol?
The canonical SMILES for 5-(7-methyl-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol is Cc1cccc2nc(-c3ccc(C(C)C)c(O)c3)oc12.
What is the InChIKey of 5-(7-methyl-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol?
The InChIKey is AUUXYDZJWHSEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-10(2)13-8-7-12(9-15(13)19)17-18-14-6-4-5-11(3)16(14)20-17/h4-10,19H,1-3H3.
What are the key properties of 5-(7-methyl-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol?
5-(7-methyl-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol has a molecular weight of 267.33 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methyl-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol is sourced from PubChem (CID 171512133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).