2-[2-(4-cyclohexylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

C20H24N2O2 — CID 59252502

IUPAC2-[2-(4-cyclohexylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESO=c1ccn2c(n1)OC(CCc1ccc(C3CCCCC3)cc1)C2
InChIInChI=1S/C20H24N2O2/c23-19-12-13-22-14-18(24-20(22)21-19)11-8-15-6-9-17(10-7-15)16-4-2-1-3-5-16/h6-7,9-10,12-13,16,18H,1-5,8,11,14H2
InChIKeyWJNBKXWYCCFKMQ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.68
Rot. Bonds4

About 2-[2-(4-cyclohexylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

2-[2-(4-cyclohexylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (PubChem CID 59252502) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[2-(4-cyclohexylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[2-(4-cyclohexylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
PubChem CID59252502
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-[2-(4-cyclohexylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESO=c1ccn2c(n1)OC(CCc1ccc(C3CCCCC3)cc1)C2
InChIInChI=1S/C20H24N2O2/c23-19-12-13-22-14-18(24-20(22)21-19)11-8-15-6-9-17(10-7-15)16-4-2-1-3-5-16/h6-7,9-10,12-13,16,18H,1-5,8,11,14H2
InChIKeyWJNBKXWYCCFKMQ-UHFFFAOYSA-N
XLogP3.68
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyclohexylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 2-[2-(4-cyclohexylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (CID 59252502) is 2-[2-(4-cyclohexylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 2-[2-(4-cyclohexylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 2-[2-(4-cyclohexylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is O=c1ccn2c(n1)OC(CCc1ccc(C3CCCCC3)cc1)C2.
What is the InChIKey of 2-[2-(4-cyclohexylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The InChIKey is WJNBKXWYCCFKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-19-12-13-22-14-18(24-20(22)21-19)11-8-15-6-9-17(10-7-15)16-4-2-1-3-5-16/h6-7,9-10,12-13,16,18H,1-5,8,11,14H2.
What are the key properties of 2-[2-(4-cyclohexylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
2-[2-(4-cyclohexylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one has a molecular weight of 324.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyclohexylphenyl)ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 59252502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).