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

C10H13NO — CID 143588222

IUPAC5-ethyl-2-methyl-6,7-dihydro-1,3-benzoxazole
SMILESCCC1=Cc2nc(C)oc2CC1
InChIInChI=1S/C10H13NO/c1-3-8-4-5-10-9(6-8)11-7(2)12-10/h6H,3-5H2,1-2H3
InChIKeyIRLYYCDWAKXHSE-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.72
Rot. Bonds1

About 5-ethyl-2-methyl-6,7-dihydro-1,3-benzoxazole

5-ethyl-2-methyl-6,7-dihydro-1,3-benzoxazole (PubChem CID 143588222) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-ethyl-2-methyl-6,7-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name5-ethyl-2-methyl-6,7-dihydro-1,3-benzoxazole
PubChem CID143588222
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name5-ethyl-2-methyl-6,7-dihydro-1,3-benzoxazole
SMILESCCC1=Cc2nc(C)oc2CC1
InChIInChI=1S/C10H13NO/c1-3-8-4-5-10-9(6-8)11-7(2)12-10/h6H,3-5H2,1-2H3
InChIKeyIRLYYCDWAKXHSE-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Allyl-4-butyl-2-methyl-1,3-oxazole
CID 384230
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
trimethyl-[(Z,3Z)-3-(2-methyl-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene)-1-trimethylsilylprop-1-en-2-yl]silane
CID 134844121
trimethyl-[(Z,3E)-3-(2-methyl-6,7-dihydro-5H-1,3-benzoxazol-4-ylidene)-1-trimethylsilylprop-1-en-2-yl]silane
CID 134844122
4,5-Dibutyl-2-methyl-1,3-oxazole
CID 10262073
2-methyl-7H-1,3-benzoxazol-6-one
CID 21478685
2,5,6-Trimethyl-4,7-dimethylidene-1,3-benzoxazole
CID 58975922
2,6-Dimethyl-6,7-dihydro-1,3-benzoxazole
CID 90363971
2,6-Dimethyl-4,5-dihydro-1,3-benzoxazole
CID 90363980

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-6,7-dihydro-1,3-benzoxazole?
The IUPAC name of 5-ethyl-2-methyl-6,7-dihydro-1,3-benzoxazole (CID 143588222) is 5-ethyl-2-methyl-6,7-dihydro-1,3-benzoxazole.
What is the SMILES notation for 5-ethyl-2-methyl-6,7-dihydro-1,3-benzoxazole?
The canonical SMILES for 5-ethyl-2-methyl-6,7-dihydro-1,3-benzoxazole is CCC1=Cc2nc(C)oc2CC1.
What is the InChIKey of 5-ethyl-2-methyl-6,7-dihydro-1,3-benzoxazole?
The InChIKey is IRLYYCDWAKXHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-8-4-5-10-9(6-8)11-7(2)12-10/h6H,3-5H2,1-2H3.
What are the key properties of 5-ethyl-2-methyl-6,7-dihydro-1,3-benzoxazole?
5-ethyl-2-methyl-6,7-dihydro-1,3-benzoxazole has a molecular weight of 163.22 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-6,7-dihydro-1,3-benzoxazole is sourced from PubChem (CID 143588222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).