(2S)-2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

C20H17FN2O3 — CID 67060113

IUPAC(2S)-2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCc1cc(-c2ccc(F)cc2)ccc1OC[C@@H]1Cn2ccc(=O)nc2O1
InChIInChI=1S/C20H17FN2O3/c1-13-10-15(14-2-5-16(21)6-3-14)4-7-18(13)25-12-17-11-23-9-8-19(24)22-20(23)26-17/h2-10,17H,11-12H2,1H3/t17-/m0/s1
InChIKeySDGXBZRZFVZJGL-KRWDZBQOSA-N
MW352.37 g/mol
LogP3.20
Rot. Bonds4

About (2S)-2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

(2S)-2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (PubChem CID 67060113) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is (2S)-2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name(2S)-2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
PubChem CID67060113
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name(2S)-2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCc1cc(-c2ccc(F)cc2)ccc1OC[C@@H]1Cn2ccc(=O)nc2O1
InChIInChI=1S/C20H17FN2O3/c1-13-10-15(14-2-5-16(21)6-3-14)4-7-18(13)25-12-17-11-23-9-8-19(24)22-20(23)26-17/h2-10,17H,11-12H2,1H3/t17-/m0/s1
InChIKeySDGXBZRZFVZJGL-KRWDZBQOSA-N
XLogP3.20
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of (2S)-2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (CID 67060113) is (2S)-2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for (2S)-2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for (2S)-2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is Cc1cc(-c2ccc(F)cc2)ccc1OC[C@@H]1Cn2ccc(=O)nc2O1.
What is the InChIKey of (2S)-2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The InChIKey is SDGXBZRZFVZJGL-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-13-10-15(14-2-5-16(21)6-3-14)4-7-18(13)25-12-17-11-23-9-8-19(24)22-20(23)26-17/h2-10,17H,11-12H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
(2S)-2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one has a molecular weight of 352.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(4-fluorophenyl)-2-methylphenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 67060113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).