ethane;2-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole

C11H17NO — CID 142256796

IUPACethane;2-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole
SMILESCC.Cc1nc2c(o1)CCCC=C2
InChIInChI=1S/C9H11NO.C2H6/c1-7-10-8-5-3-2-4-6-9(8)11-7;1-2/h3,5H,2,4,6H2,1H3;1-2H3
InChIKeyZANMQXBSEOLMJK-UHFFFAOYSA-N
MW179.26 g/mol
LogP3.36
Rot. Bonds

About ethane;2-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole

ethane;2-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole (PubChem CID 142256796) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is ethane;2-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole.

Molecular Properties

Compound Nameethane;2-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole
PubChem CID142256796
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Nameethane;2-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole
SMILESCC.Cc1nc2c(o1)CCCC=C2
InChIInChI=1S/C9H11NO.C2H6/c1-7-10-8-5-3-2-4-6-9(8)11-7;1-2/h3,5H,2,4,6H2,1H3;1-2H3
InChIKeyZANMQXBSEOLMJK-UHFFFAOYSA-N
XLogP3.36
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Butyl-4-ethyl-2-methyl-1,3-oxazole
CID 71414755
2,5-Dibutyl-4-methyl-1,3-oxazole
CID 71409403
2,4-Dimethyl-5-butyloxazole
CID 525775
5-Butyl-4-methyl-2-propyloxazole
CID 86025808
4-Methyl-2-pentyl-5-propyloxazole
CID 86025815
2-Methyl-4,5-dipropyl-1,3-oxazole
CID 11116439
5-Allyl-4-butyl-2-methyl-1,3-oxazole
CID 384230
2-(5-Ethyl-7-fluorocyclohepta-1,3,6-trien-1-yl)-7-methyl-5-(trifluoromethyl)-8,9-dihydrocycloocta[d][1,3]oxazole
CID 123637538
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

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole?
The IUPAC name of ethane;2-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole (CID 142256796) is ethane;2-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole.
What is the SMILES notation for ethane;2-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole?
The canonical SMILES for ethane;2-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole is CC.Cc1nc2c(o1)CCCC=C2.
What is the InChIKey of ethane;2-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole?
The InChIKey is ZANMQXBSEOLMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C2H6/c1-7-10-8-5-3-2-4-6-9(8)11-7;1-2/h3,5H,2,4,6H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole?
ethane;2-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole has a molecular weight of 179.26 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole is sourced from PubChem (CID 142256796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).