3,5-dimethyl-1,2-benzoxazole

C9H9NO — CID 4283186

IUPAC3,5-dimethyl-1,2-benzoxazole
SMILESCc1ccc2onc(C)c2c1
InChIInChI=1S/C9H9NO/c1-6-3-4-9-8(5-6)7(2)10-11-9/h3-5H,1-2H3
InChIKeyMUTJYHVVSHWJDE-UHFFFAOYSA-N
MW147.18 g/mol
LogP2.44
Rot. Bonds

About 3,5-dimethyl-1,2-benzoxazole

3,5-dimethyl-1,2-benzoxazole (PubChem CID 4283186) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 3,5-dimethyl-1,2-benzoxazole.

Molecular Properties

Compound Name3,5-dimethyl-1,2-benzoxazole
PubChem CID4283186
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name3,5-dimethyl-1,2-benzoxazole
SMILESCc1ccc2onc(C)c2c1
InChIInChI=1S/C9H9NO/c1-6-3-4-9-8(5-6)7(2)10-11-9/h3-5H,1-2H3
InChIKeyMUTJYHVVSHWJDE-UHFFFAOYSA-N
XLogP2.44
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-iodo-5-methyl-1,2-benzoxazole
CID 130284557
5-ethyl-3-methyl-1,2-benzoxazole
CID 70293590
(5-methyl-1,2-benzoxazol-3-yl)methanol
CID 119083461
(3-methyl-1,2-benzoxazol-5-yl)methanol
CID 84651532
(3-methyl-1,2-benzoxazol-5-yl)boronic acid
CID 90733121
4,6-dimethyl-2,3-benzoxazin-1-one
CID 23398138
5-methyl-3-prop-1-enyl-1,2-benzoxazole
CID 74961331
2-(3-methyl-1,2-benzoxazol-5-yl)-2-oxoacetic acid
CID 117293081
2-[(5-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethanamine
CID 15453992
1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carbaldehyde
CID 121258466
ethyl 5-methyl-1,2-benzoxazole-3-carboxylate
CID 118564146
5-(azetidin-3-yloxy)-3-methyl-1,2-benzoxazole
CID 84672184

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2-benzoxazole?
The IUPAC name of 3,5-dimethyl-1,2-benzoxazole (CID 4283186) is 3,5-dimethyl-1,2-benzoxazole.
What is the SMILES notation for 3,5-dimethyl-1,2-benzoxazole?
The canonical SMILES for 3,5-dimethyl-1,2-benzoxazole is Cc1ccc2onc(C)c2c1.
What is the InChIKey of 3,5-dimethyl-1,2-benzoxazole?
The InChIKey is MUTJYHVVSHWJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-6-3-4-9-8(5-6)7(2)10-11-9/h3-5H,1-2H3.
What are the key properties of 3,5-dimethyl-1,2-benzoxazole?
3,5-dimethyl-1,2-benzoxazole has a molecular weight of 147.18 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2-benzoxazole is sourced from PubChem (CID 4283186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).