2-ethyl-6-methyl-6,7-dihydro-1,3-benzoxazole

C10H13NO — CID 145422838

IUPAC2-ethyl-6-methyl-6,7-dihydro-1,3-benzoxazole
SMILESCCc1nc2c(o1)CC(C)C=C2
InChIInChI=1S/C10H13NO/c1-3-10-11-8-5-4-7(2)6-9(8)12-10/h4-5,7H,3,6H2,1-2H3
InChIKeyHETAWZLGVCKKQE-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.44
Rot. Bonds1

About 2-ethyl-6-methyl-6,7-dihydro-1,3-benzoxazole

2-ethyl-6-methyl-6,7-dihydro-1,3-benzoxazole (PubChem CID 145422838) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-ethyl-6-methyl-6,7-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-ethyl-6-methyl-6,7-dihydro-1,3-benzoxazole
PubChem CID145422838
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-ethyl-6-methyl-6,7-dihydro-1,3-benzoxazole
SMILESCCc1nc2c(o1)CC(C)C=C2
InChIInChI=1S/C10H13NO/c1-3-10-11-8-5-4-7(2)6-9(8)12-10/h4-5,7H,3,6H2,1-2H3
InChIKeyHETAWZLGVCKKQE-UHFFFAOYSA-N
XLogP2.44
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Fluoro-2-piperidin-4-yl-6,7-dihydro-1,3-benzoxazole
CID 89672712
2-Butyl-6,7-dihydro-1,3-benzoxazole-6-carbaldehyde;ethane;1,1,1-trifluoropropane
CID 142016946
5-Fluoro-2-methyl-6,7-dihydro-1,3-benzoxazole
CID 142292439
2-Ethyl-5-fluoro-6,7-dihydro-1,3-benzoxazole
CID 142292476
Ethane;2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole
CID 142292477
2-Methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole
CID 142292478
2-Fluoro-6,7-dihydro-1,3-benzoxazole
CID 144710526
2-methyl-7H-1,3-benzoxazol-6-one
CID 21478685
2,5,6-Trimethyl-4,7-dimethylidene-1,3-benzoxazole
CID 58975922
2-prop-1-en-2-yl-6H-1,3-benzoxazol-7-one
CID 67873136
2,4-Dimethyl-5-(2-methylpropyl)-1,3-oxazole
CID 68031543
2,6-Dimethyl-6,7-dihydro-1,3-benzoxazole
CID 90363971

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-6,7-dihydro-1,3-benzoxazole?
The IUPAC name of 2-ethyl-6-methyl-6,7-dihydro-1,3-benzoxazole (CID 145422838) is 2-ethyl-6-methyl-6,7-dihydro-1,3-benzoxazole.
What is the SMILES notation for 2-ethyl-6-methyl-6,7-dihydro-1,3-benzoxazole?
The canonical SMILES for 2-ethyl-6-methyl-6,7-dihydro-1,3-benzoxazole is CCc1nc2c(o1)CC(C)C=C2.
What is the InChIKey of 2-ethyl-6-methyl-6,7-dihydro-1,3-benzoxazole?
The InChIKey is HETAWZLGVCKKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-10-11-8-5-4-7(2)6-9(8)12-10/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 2-ethyl-6-methyl-6,7-dihydro-1,3-benzoxazole?
2-ethyl-6-methyl-6,7-dihydro-1,3-benzoxazole has a molecular weight of 163.22 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-6,7-dihydro-1,3-benzoxazole is sourced from PubChem (CID 145422838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).