2-ethyl-5,7-dimethyl-1,3-benzoxazole

C11H13NO — CID 82229674

IUPAC2-ethyl-5,7-dimethyl-1,3-benzoxazole
SMILESCCc1nc2cc(C)cc(C)c2o1
InChIInChI=1S/C11H13NO/c1-4-10-12-9-6-7(2)5-8(3)11(9)13-10/h5-6H,4H2,1-3H3
InChIKeyQFGRHZXZPMYNAH-UHFFFAOYSA-N
MW175.23 g/mol
LogP3.01
Rot. Bonds1

About 2-ethyl-5,7-dimethyl-1,3-benzoxazole

2-ethyl-5,7-dimethyl-1,3-benzoxazole (PubChem CID 82229674) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-ethyl-5,7-dimethyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-ethyl-5,7-dimethyl-1,3-benzoxazole
PubChem CID82229674
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-ethyl-5,7-dimethyl-1,3-benzoxazole
SMILESCCc1nc2cc(C)cc(C)c2o1
InChIInChI=1S/C11H13NO/c1-4-10-12-9-6-7(2)5-8(3)11(9)13-10/h5-6H,4H2,1-3H3
InChIKeyQFGRHZXZPMYNAH-UHFFFAOYSA-N
XLogP3.01
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine
CID 79001891
[2-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]methanamine
CID 81317575
7-methyl-2-propyl-1,3-benzoxazol-5-amine
CID 82229883
2-[(5-amino-7-methyl-1,3-benzoxazol-2-yl)methyl]-7-methyl-1,3-benzoxazol-5-amine
CID 91675154
2-(3,5-dibromo-4-methylphenyl)-5,7-dimethyl-1,3-benzoxazole
CID 50880214
7-bromo-2-ethyl-5-propyl-1,3-benzoxazole
CID 82233377
N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]pentanamide
CID 54857862
1-(7-amino-2-ethyl-1,3-benzoxazol-5-yl)ethanone
CID 82230247
5,7-dimethyl-2-pyridin-4-yl-1,3-benzoxazole
CID 95909923
2-ethyl-1,3-benzoxazol-7-amine
CID 28752253
2-(methoxymethyl)-7-methyl-1,3-benzoxazol-5-amine
CID 91679204
N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-phenylacetamide
CID 54858483

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,7-dimethyl-1,3-benzoxazole?
The IUPAC name of 2-ethyl-5,7-dimethyl-1,3-benzoxazole (CID 82229674) is 2-ethyl-5,7-dimethyl-1,3-benzoxazole.
What is the SMILES notation for 2-ethyl-5,7-dimethyl-1,3-benzoxazole?
The canonical SMILES for 2-ethyl-5,7-dimethyl-1,3-benzoxazole is CCc1nc2cc(C)cc(C)c2o1.
What is the InChIKey of 2-ethyl-5,7-dimethyl-1,3-benzoxazole?
The InChIKey is QFGRHZXZPMYNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-4-10-12-9-6-7(2)5-8(3)11(9)13-10/h5-6H,4H2,1-3H3.
What are the key properties of 2-ethyl-5,7-dimethyl-1,3-benzoxazole?
2-ethyl-5,7-dimethyl-1,3-benzoxazole has a molecular weight of 175.23 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,7-dimethyl-1,3-benzoxazole is sourced from PubChem (CID 82229674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).