4-cycloheptyl-3H-1,3-oxazol-2-one

C10H15NO2 — CID 105439472

IUPAC4-cycloheptyl-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(C2CCCCCC2)co1
InChIInChI=1S/C10H15NO2/c12-10-11-9(7-13-10)8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H,11,12)
InChIKeyCSNWDGIPMLIEJX-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.41
Rot. Bonds1

About 4-cycloheptyl-3H-1,3-oxazol-2-one

4-cycloheptyl-3H-1,3-oxazol-2-one (PubChem CID 105439472) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-cycloheptyl-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-cycloheptyl-3H-1,3-oxazol-2-one
PubChem CID105439472
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name4-cycloheptyl-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(C2CCCCCC2)co1
InChIInChI=1S/C10H15NO2/c12-10-11-9(7-13-10)8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H,11,12)
InChIKeyCSNWDGIPMLIEJX-UHFFFAOYSA-N
XLogP2.41
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 105438957
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CID 82415107
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CID 83848472
2-cyclononyl-1H-pyrrole
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2-cyclotetradecyl-1H-pyrrole
CID 173176326
3-cyclooctylpyran-2-one
CID 22113990
2-cycloheptyl-4,5,6,7-tetrahydro-1H-indole
CID 173178556
4-cycloheptyl-5-methyl-1,3-dihydroimidazol-2-one
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2-cycloheptyl-1H-pyrrole;hydrochloride
CID 175314820

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-3H-1,3-oxazol-2-one?
The IUPAC name of 4-cycloheptyl-3H-1,3-oxazol-2-one (CID 105439472) is 4-cycloheptyl-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-cycloheptyl-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-cycloheptyl-3H-1,3-oxazol-2-one is O=c1[nH]c(C2CCCCCC2)co1.
What is the InChIKey of 4-cycloheptyl-3H-1,3-oxazol-2-one?
The InChIKey is CSNWDGIPMLIEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-10-11-9(7-13-10)8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H,11,12).
What are the key properties of 4-cycloheptyl-3H-1,3-oxazol-2-one?
4-cycloheptyl-3H-1,3-oxazol-2-one has a molecular weight of 181.23 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-3H-1,3-oxazol-2-one is sourced from PubChem (CID 105439472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).