2-methyl-6H-cyclohepta[d][1,3]oxazol-4-ol

C9H9NO2 — CID 142101919

IUPAC2-methyl-6H-cyclohepta[d][1,3]oxazol-4-ol
SMILESCc1nc2c(o1)C=CCC=C2O
InChIInChI=1S/C9H9NO2/c1-6-10-9-7(11)4-2-3-5-8(9)12-6/h3-5,11H,2H2,1H3
InChIKeyFLPIEIKCKUOLRS-UHFFFAOYSA-N
MW163.18 g/mol
LogP2.30
Rot. Bonds

About 2-methyl-6H-cyclohepta[d][1,3]oxazol-4-ol

2-methyl-6H-cyclohepta[d][1,3]oxazol-4-ol (PubChem CID 142101919) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-methyl-6H-cyclohepta[d][1,3]oxazol-4-ol.

Molecular Properties

Compound Name2-methyl-6H-cyclohepta[d][1,3]oxazol-4-ol
PubChem CID142101919
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name2-methyl-6H-cyclohepta[d][1,3]oxazol-4-ol
SMILESCc1nc2c(o1)C=CCC=C2O
InChIInChI=1S/C9H9NO2/c1-6-10-9-7(11)4-2-3-5-8(9)12-6/h3-5,11H,2H2,1H3
InChIKeyFLPIEIKCKUOLRS-UHFFFAOYSA-N
XLogP2.30
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6H-cyclohepta[d][1,3]oxazol-4-ol?
The IUPAC name of 2-methyl-6H-cyclohepta[d][1,3]oxazol-4-ol (CID 142101919) is 2-methyl-6H-cyclohepta[d][1,3]oxazol-4-ol.
What is the SMILES notation for 2-methyl-6H-cyclohepta[d][1,3]oxazol-4-ol?
The canonical SMILES for 2-methyl-6H-cyclohepta[d][1,3]oxazol-4-ol is Cc1nc2c(o1)C=CCC=C2O.
What is the InChIKey of 2-methyl-6H-cyclohepta[d][1,3]oxazol-4-ol?
The InChIKey is FLPIEIKCKUOLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-6-10-9-7(11)4-2-3-5-8(9)12-6/h3-5,11H,2H2,1H3.
What are the key properties of 2-methyl-6H-cyclohepta[d][1,3]oxazol-4-ol?
2-methyl-6H-cyclohepta[d][1,3]oxazol-4-ol has a molecular weight of 163.18 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6H-cyclohepta[d][1,3]oxazol-4-ol is sourced from PubChem (CID 142101919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).