ethane;2-methyl-4,5-dihydro-1,3-benzoxazole

C10H15NO — CID 144710586

IUPACethane;2-methyl-4,5-dihydro-1,3-benzoxazole
SMILESCC.Cc1nc2c(o1)C=CCC2
InChIInChI=1S/C8H9NO.C2H6/c1-6-9-7-4-2-3-5-8(7)10-6;1-2/h3,5H,2,4H2,1H3;1-2H3
InChIKeyATGUGMFHSQTNAW-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.97
Rot. Bonds

About ethane;2-methyl-4,5-dihydro-1,3-benzoxazole

ethane;2-methyl-4,5-dihydro-1,3-benzoxazole (PubChem CID 144710586) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is ethane;2-methyl-4,5-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Nameethane;2-methyl-4,5-dihydro-1,3-benzoxazole
PubChem CID144710586
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Nameethane;2-methyl-4,5-dihydro-1,3-benzoxazole
SMILESCC.Cc1nc2c(o1)C=CCC2
InChIInChI=1S/C8H9NO.C2H6/c1-6-9-7-4-2-3-5-8(7)10-6;1-2/h3,5H,2,4H2,1H3;1-2H3
InChIKeyATGUGMFHSQTNAW-UHFFFAOYSA-N
XLogP2.97
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-Fluoro-6-methylhepta-2,4,6-trien-3-yl)-2,4-dimethyl-1,3-oxazole
CID 91492923
5-[(Z)-3-fluoroprop-1-enyl]-2,4-dimethyl-1,3-oxazole
CID 141904051
5-Fluoro-2-methyl-6,7-dihydro-1,3-benzoxazole
CID 142292439
2-Ethyl-5-fluoro-6,7-dihydro-1,3-benzoxazole
CID 142292476
4-Ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole
CID 142936356
2-(4-fluorocyclohepta-1,3,6-trien-1-yl)-5-methyl-4-[(2E)-penta-2,4-dien-2-yl]-1,3-oxazole
CID 144879705
2,4-Dicyclopropyl-5-ethenyl-1,3-oxazole
CID 121218330
5-[(E)-2-(4-tert-butylcyclohexen-1-yl)ethenyl]-2,4-dicyclopropyl-1,3-oxazole
CID 178339217
4,5-Dihydro-1,3-benzoxazole
CID 17861785
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

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4,5-dihydro-1,3-benzoxazole?
The IUPAC name of ethane;2-methyl-4,5-dihydro-1,3-benzoxazole (CID 144710586) is ethane;2-methyl-4,5-dihydro-1,3-benzoxazole.
What is the SMILES notation for ethane;2-methyl-4,5-dihydro-1,3-benzoxazole?
The canonical SMILES for ethane;2-methyl-4,5-dihydro-1,3-benzoxazole is CC.Cc1nc2c(o1)C=CCC2.
What is the InChIKey of ethane;2-methyl-4,5-dihydro-1,3-benzoxazole?
The InChIKey is ATGUGMFHSQTNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C2H6/c1-6-9-7-4-2-3-5-8(7)10-6;1-2/h3,5H,2,4H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-4,5-dihydro-1,3-benzoxazole?
ethane;2-methyl-4,5-dihydro-1,3-benzoxazole has a molecular weight of 165.24 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4,5-dihydro-1,3-benzoxazole is sourced from PubChem (CID 144710586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).