2-[(4-cyclohexylphenoxy)methyl]-6-(2-methoxyethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

C22H28N2O4 — CID 25071113

IUPAC2-[(4-cyclohexylphenoxy)methyl]-6-(2-methoxyethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCOCCc1cn2c(nc1=O)OC(COc1ccc(C3CCCCC3)cc1)C2
InChIInChI=1S/C22H28N2O4/c1-26-12-11-18-13-24-14-20(28-22(24)23-21(18)25)15-27-19-9-7-17(8-10-19)16-5-3-2-4-6-16/h7-10,13,16,20H,2-6,11-12,14-15H2,1H3
InChIKeyWPJFVKRJPMMNIX-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.32
Rot. Bonds7

About 2-[(4-cyclohexylphenoxy)methyl]-6-(2-methoxyethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

2-[(4-cyclohexylphenoxy)methyl]-6-(2-methoxyethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (PubChem CID 25071113) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[(4-cyclohexylphenoxy)methyl]-6-(2-methoxyethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(4-cyclohexylphenoxy)methyl]-6-(2-methoxyethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
PubChem CID25071113
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-[(4-cyclohexylphenoxy)methyl]-6-(2-methoxyethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCOCCc1cn2c(nc1=O)OC(COc1ccc(C3CCCCC3)cc1)C2
InChIInChI=1S/C22H28N2O4/c1-26-12-11-18-13-24-14-20(28-22(24)23-21(18)25)15-27-19-9-7-17(8-10-19)16-5-3-2-4-6-16/h7-10,13,16,20H,2-6,11-12,14-15H2,1H3
InChIKeyWPJFVKRJPMMNIX-UHFFFAOYSA-N
XLogP3.32
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexylphenoxy)methyl]-6-(2-methoxyethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 2-[(4-cyclohexylphenoxy)methyl]-6-(2-methoxyethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (CID 25071113) is 2-[(4-cyclohexylphenoxy)methyl]-6-(2-methoxyethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 2-[(4-cyclohexylphenoxy)methyl]-6-(2-methoxyethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 2-[(4-cyclohexylphenoxy)methyl]-6-(2-methoxyethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is COCCc1cn2c(nc1=O)OC(COc1ccc(C3CCCCC3)cc1)C2.
What is the InChIKey of 2-[(4-cyclohexylphenoxy)methyl]-6-(2-methoxyethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The InChIKey is WPJFVKRJPMMNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-26-12-11-18-13-24-14-20(28-22(24)23-21(18)25)15-27-19-9-7-17(8-10-19)16-5-3-2-4-6-16/h7-10,13,16,20H,2-6,11-12,14-15H2,1H3.
What are the key properties of 2-[(4-cyclohexylphenoxy)methyl]-6-(2-methoxyethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
2-[(4-cyclohexylphenoxy)methyl]-6-(2-methoxyethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one has a molecular weight of 384.48 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexylphenoxy)methyl]-6-(2-methoxyethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 25071113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).