4,6-dimethyl-1,3-benzoxazole

C9H9NO — CID 19990338

IUPAC4,6-dimethyl-1,3-benzoxazole
SMILESCc1cc(C)c2ncoc2c1
InChIInChI=1S/C9H9NO/c1-6-3-7(2)9-8(4-6)11-5-10-9/h3-5H,1-2H3
InChIKeyNDUHYERSZLRFNL-UHFFFAOYSA-N
MW147.18 g/mol
LogP2.44
Rot. Bonds

About 4,6-dimethyl-1,3-benzoxazole

4,6-dimethyl-1,3-benzoxazole (PubChem CID 19990338) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 4,6-dimethyl-1,3-benzoxazole.

Molecular Properties

Compound Name4,6-dimethyl-1,3-benzoxazole
PubChem CID19990338
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name4,6-dimethyl-1,3-benzoxazole
SMILESCc1cc(C)c2ncoc2c1
InChIInChI=1S/C9H9NO/c1-6-3-7(2)9-8(4-6)11-5-10-9/h3-5H,1-2H3
InChIKeyNDUHYERSZLRFNL-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

4-methoxy-6-methyl-1,3-benzoxazole
CID 138489076
4-chloro-6-ethyl-1,3-benzoxazole
CID 155002998
hydrazine;6-methyl-1,3-benzoxazole
CID 174445357
4,6-di(propan-2-yl)-1,3-benzoxazole
CID 126625095
3,6,8-trimethylquinoline
CID 15109946
(4,6-dimethyl-1,3-benzoxazol-2-yl)methanamine
CID 82229697
4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole
CID 82231763
4,7-dimethyl-1,3-benzoxazol-5-amine
CID 82229632
6-bromo-4-chloro-1,3-benzoxazole
CID 82095374
[4-(2,4,6-trimethylphenyl)-1,3-oxazol-5-yl]methanamine
CID 82127074
6-(2-bromoethyl)-1,3-benzoxazol-4-olate
CID 151755173
2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole
CID 82230679

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,3-benzoxazole?
The IUPAC name of 4,6-dimethyl-1,3-benzoxazole (CID 19990338) is 4,6-dimethyl-1,3-benzoxazole.
What is the SMILES notation for 4,6-dimethyl-1,3-benzoxazole?
The canonical SMILES for 4,6-dimethyl-1,3-benzoxazole is Cc1cc(C)c2ncoc2c1.
What is the InChIKey of 4,6-dimethyl-1,3-benzoxazole?
The InChIKey is NDUHYERSZLRFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-6-3-7(2)9-8(4-6)11-5-10-9/h3-5H,1-2H3.
What are the key properties of 4,6-dimethyl-1,3-benzoxazole?
4,6-dimethyl-1,3-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 4,6-dimethyl-1,3-benzoxazole is sourced from PubChem (CID 19990338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).