2-[(4-tert-butylphenoxy)methyl]-6-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

C23H24N2O3 — CID 67060970

IUPAC2-[(4-tert-butylphenoxy)methyl]-6-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCC(C)(C)c1ccc(OCC2Cn3cc(-c4ccccc4)c(=O)nc3O2)cc1
InChIInChI=1S/C23H24N2O3/c1-23(2,3)17-9-11-18(12-10-17)27-15-19-13-25-14-20(16-7-5-4-6-8-16)21(26)24-22(25)28-19/h4-12,14,19H,13,15H2,1-3H3
InChIKeyRQDGKUWMBAZXHS-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.05
Rot. Bonds4

About 2-[(4-tert-butylphenoxy)methyl]-6-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

2-[(4-tert-butylphenoxy)methyl]-6-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (PubChem CID 67060970) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[(4-tert-butylphenoxy)methyl]-6-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(4-tert-butylphenoxy)methyl]-6-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
PubChem CID67060970
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-[(4-tert-butylphenoxy)methyl]-6-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCC(C)(C)c1ccc(OCC2Cn3cc(-c4ccccc4)c(=O)nc3O2)cc1
InChIInChI=1S/C23H24N2O3/c1-23(2,3)17-9-11-18(12-10-17)27-15-19-13-25-14-20(16-7-5-4-6-8-16)21(26)24-22(25)28-19/h4-12,14,19H,13,15H2,1-3H3
InChIKeyRQDGKUWMBAZXHS-UHFFFAOYSA-N
XLogP4.05
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-tert-butylphenoxy)methyl]-6-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one with MolForge

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Related Compounds

(2S)-2-[(4-tert-butylphenoxy)methyl]-6-methyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 51030224
(2S)-6-methyl-2-[[4-(2-methylphenyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 67060014
(2S)-2-[(3-ethyl-4-phenylphenoxy)methyl]-6-methyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 67060157
2-[[4-(2-ethylphenyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 67060075
2-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 25071739
(13S)-13-[(4-tert-butylphenoxy)methyl]-14-oxa-11,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,15-hexaene
CID 44512222
(2S)-2-[(4-tert-butyl-2-fluorophenoxy)methyl]-6-ethyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 51030506
6-ethyl-2-[(3-methylphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 123755535
(2S)-2-[(4-tert-butylphenoxy)methyl]-3,5-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidine
CID 141219157
2-[[4-[3-(trifluoromethyl)phenyl]phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 67060126
2-[(4-tert-butylphenoxy)methyl]-5-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazole-6-carboxamide
CID 138108847
2-[(4-cyclohexylphenoxy)methyl]-6-(2-methoxyethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 25071113

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenoxy)methyl]-6-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 2-[(4-tert-butylphenoxy)methyl]-6-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (CID 67060970) is 2-[(4-tert-butylphenoxy)methyl]-6-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 2-[(4-tert-butylphenoxy)methyl]-6-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 2-[(4-tert-butylphenoxy)methyl]-6-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is CC(C)(C)c1ccc(OCC2Cn3cc(-c4ccccc4)c(=O)nc3O2)cc1.
What is the InChIKey of 2-[(4-tert-butylphenoxy)methyl]-6-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The InChIKey is RQDGKUWMBAZXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-23(2,3)17-9-11-18(12-10-17)27-15-19-13-25-14-20(16-7-5-4-6-8-16)21(26)24-22(25)28-19/h4-12,14,19H,13,15H2,1-3H3.
What are the key properties of 2-[(4-tert-butylphenoxy)methyl]-6-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
2-[(4-tert-butylphenoxy)methyl]-6-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one has a molecular weight of 376.46 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenoxy)methyl]-6-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 67060970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).