2,4,5-trimethyl-1,3-benzoxazole

C10H11NO — CID 54244945

IUPAC2,4,5-trimethyl-1,3-benzoxazole
SMILESCc1nc2c(C)c(C)ccc2o1
InChIInChI=1S/C10H11NO/c1-6-4-5-9-10(7(6)2)11-8(3)12-9/h4-5H,1-3H3
InChIKeyQSPARHPOHCOSSZ-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.75
Rot. Bonds

About 2,4,5-trimethyl-1,3-benzoxazole

2,4,5-trimethyl-1,3-benzoxazole (PubChem CID 54244945) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2,4,5-trimethyl-1,3-benzoxazole.

Molecular Properties

Compound Name2,4,5-trimethyl-1,3-benzoxazole
PubChem CID54244945
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2,4,5-trimethyl-1,3-benzoxazole
SMILESCc1nc2c(C)c(C)ccc2o1
InChIInChI=1S/C10H11NO/c1-6-4-5-9-10(7(6)2)11-8(3)12-9/h4-5H,1-3H3
InChIKeyQSPARHPOHCOSSZ-UHFFFAOYSA-N
XLogP2.75
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylbenzoxazole
CID 7225
Benzoxazole, 2-methyl-5-phenyl-
CID 112786
Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-phenyl-
CID 70030
2-p-Tolylbenzoxazole
CID 70039
L 697639
CID 60832
Benzoxazole, 2,2'-(1,2-ethenediyl)bis(5-methyl-
CID 5332173
2,5-Dimethylbenzoxazole
CID 21884
2-(2'-Methylphenyl)benzoxazole
CID 154899
3-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 348698
2-(2-Methylphenyl)-1,3-benzoxazol-5-amine
CID 644436
2-(4-Biphenyl)-6-phenylbenzoxazole
CID 86930

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-1,3-benzoxazole?
The IUPAC name of 2,4,5-trimethyl-1,3-benzoxazole (CID 54244945) is 2,4,5-trimethyl-1,3-benzoxazole.
What is the SMILES notation for 2,4,5-trimethyl-1,3-benzoxazole?
The canonical SMILES for 2,4,5-trimethyl-1,3-benzoxazole is Cc1nc2c(C)c(C)ccc2o1.
What is the InChIKey of 2,4,5-trimethyl-1,3-benzoxazole?
The InChIKey is QSPARHPOHCOSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-6-4-5-9-10(7(6)2)11-8(3)12-9/h4-5H,1-3H3.
What are the key properties of 2,4,5-trimethyl-1,3-benzoxazole?
2,4,5-trimethyl-1,3-benzoxazole has a molecular weight of 161.20 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-1,3-benzoxazole is sourced from PubChem (CID 54244945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).