ethane;2-methyl-6,7-dihydro-1,3-benzoxazole

C10H15NO — CID 142959407

IUPACethane;2-methyl-6,7-dihydro-1,3-benzoxazole
SMILESCC.Cc1nc2c(o1)CCC=C2
InChIInChI=1S/C8H9NO.C2H6/c1-6-9-7-4-2-3-5-8(7)10-6;1-2/h2,4H,3,5H2,1H3;1-2H3
InChIKeyHDWSJRBJAWSZBG-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.97
Rot. Bonds

About ethane;2-methyl-6,7-dihydro-1,3-benzoxazole

ethane;2-methyl-6,7-dihydro-1,3-benzoxazole (PubChem CID 142959407) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is ethane;2-methyl-6,7-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Nameethane;2-methyl-6,7-dihydro-1,3-benzoxazole
PubChem CID142959407
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Nameethane;2-methyl-6,7-dihydro-1,3-benzoxazole
SMILESCC.Cc1nc2c(o1)CCC=C2
InChIInChI=1S/C8H9NO.C2H6/c1-6-9-7-4-2-3-5-8(7)10-6;1-2/h2,4H,3,5H2,1H3;1-2H3
InChIKeyHDWSJRBJAWSZBG-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

2-Ethyl-4-methyl-5-propyloxazole
CID 525780
2,4-Dimethyl-5-propyloxazole
CID 525774
2-Methyl-4-ethyl-5-propyloxazole
CID 525784
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
2-(6,7-dihydro-1,3-benzoxazol-2-yl)-N-[2-(2-fluoroethoxy)ethyl]ethanamine
CID 154682437
2-Fluoro-6,7-dihydro-1,3-benzoxazole
CID 144710526
Oxazole, 4-methyl-2,5-dipropyl
CID 528408
6,7-Dihydro-1,3-benzoxazole
CID 20558214

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-6,7-dihydro-1,3-benzoxazole?
The IUPAC name of ethane;2-methyl-6,7-dihydro-1,3-benzoxazole (CID 142959407) is ethane;2-methyl-6,7-dihydro-1,3-benzoxazole.
What is the SMILES notation for ethane;2-methyl-6,7-dihydro-1,3-benzoxazole?
The canonical SMILES for ethane;2-methyl-6,7-dihydro-1,3-benzoxazole is CC.Cc1nc2c(o1)CCC=C2.
What is the InChIKey of ethane;2-methyl-6,7-dihydro-1,3-benzoxazole?
The InChIKey is HDWSJRBJAWSZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C2H6/c1-6-9-7-4-2-3-5-8(7)10-6;1-2/h2,4H,3,5H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-6,7-dihydro-1,3-benzoxazole?
ethane;2-methyl-6,7-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-6,7-dihydro-1,3-benzoxazole is sourced from PubChem (CID 142959407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).