4,4-dicyclohexyl-2-prop-1-en-2-yl-1,3-oxazol-5-one

C18H27NO2 — CID 141402235

IUPAC4,4-dicyclohexyl-2-prop-1-en-2-yl-1,3-oxazol-5-one
SMILESC=C(C)C1=NC(C2CCCCC2)(C2CCCCC2)C(=O)O1
InChIInChI=1S/C18H27NO2/c1-13(2)16-19-18(17(20)21-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h14-15H,1,3-12H2,2H3
InChIKeyGAUCFQKVBQENGU-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.42
Rot. Bonds3

About 4,4-dicyclohexyl-2-prop-1-en-2-yl-1,3-oxazol-5-one

4,4-dicyclohexyl-2-prop-1-en-2-yl-1,3-oxazol-5-one (PubChem CID 141402235) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4,4-dicyclohexyl-2-prop-1-en-2-yl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4,4-dicyclohexyl-2-prop-1-en-2-yl-1,3-oxazol-5-one
PubChem CID141402235
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name4,4-dicyclohexyl-2-prop-1-en-2-yl-1,3-oxazol-5-one
SMILESC=C(C)C1=NC(C2CCCCC2)(C2CCCCC2)C(=O)O1
InChIInChI=1S/C18H27NO2/c1-13(2)16-19-18(17(20)21-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h14-15H,1,3-12H2,2H3
InChIKeyGAUCFQKVBQENGU-UHFFFAOYSA-N
XLogP4.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dicyclohexyl-2-prop-1-en-2-yl-1,3-oxazol-5-one?
The IUPAC name of 4,4-dicyclohexyl-2-prop-1-en-2-yl-1,3-oxazol-5-one (CID 141402235) is 4,4-dicyclohexyl-2-prop-1-en-2-yl-1,3-oxazol-5-one.
What is the SMILES notation for 4,4-dicyclohexyl-2-prop-1-en-2-yl-1,3-oxazol-5-one?
The canonical SMILES for 4,4-dicyclohexyl-2-prop-1-en-2-yl-1,3-oxazol-5-one is C=C(C)C1=NC(C2CCCCC2)(C2CCCCC2)C(=O)O1.
What is the InChIKey of 4,4-dicyclohexyl-2-prop-1-en-2-yl-1,3-oxazol-5-one?
The InChIKey is GAUCFQKVBQENGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13(2)16-19-18(17(20)21-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h14-15H,1,3-12H2,2H3.
What are the key properties of 4,4-dicyclohexyl-2-prop-1-en-2-yl-1,3-oxazol-5-one?
4,4-dicyclohexyl-2-prop-1-en-2-yl-1,3-oxazol-5-one has a molecular weight of 289.42 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dicyclohexyl-2-prop-1-en-2-yl-1,3-oxazol-5-one is sourced from PubChem (CID 141402235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).