2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane

C12H17NO — CID 170595636

IUPAC2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane
SMILESCC.Cc1nc2c(o1)C=CC=CC2C
InChIInChI=1S/C10H11NO.C2H6/c1-7-5-3-4-6-9-10(7)11-8(2)12-9;1-2/h3-7H,1-2H3;1-2H3
InChIKeyGMHMQIZBTRSQTG-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.70
Rot. Bonds

About 2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane

2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane (PubChem CID 170595636) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane.

Molecular Properties

Compound Name2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane
PubChem CID170595636
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane
SMILESCC.Cc1nc2c(o1)C=CC=CC2C
InChIInChI=1S/C10H11NO.C2H6/c1-7-5-3-4-6-9-10(7)11-8(2)12-9;1-2/h3-7H,1-2H3;1-2H3
InChIKeyGMHMQIZBTRSQTG-UHFFFAOYSA-N
XLogP3.70
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane?
The IUPAC name of 2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane (CID 170595636) is 2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane.
What is the SMILES notation for 2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane?
The canonical SMILES for 2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane is CC.Cc1nc2c(o1)C=CC=CC2C.
What is the InChIKey of 2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane?
The InChIKey is GMHMQIZBTRSQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C2H6/c1-7-5-3-4-6-9-10(7)11-8(2)12-9;1-2/h3-7H,1-2H3;1-2H3.
What are the key properties of 2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane?
2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane has a molecular weight of 191.27 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane is sourced from PubChem (CID 170595636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).