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

C19H15ClN2O3 — CID 67059933

IUPAC(2S)-2-[[4-(3-chlorophenyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESO=c1ccn2c(n1)O[C@H](COc1ccc(-c3cccc(Cl)c3)cc1)C2
InChIInChI=1S/C19H15ClN2O3/c20-15-3-1-2-14(10-15)13-4-6-16(7-5-13)24-12-17-11-22-9-8-18(23)21-19(22)25-17/h1-10,17H,11-12H2/t17-/m0/s1
InChIKeyWJOJTNCSNWPNPX-KRWDZBQOSA-N
MW354.79 g/mol
LogP3.40
Rot. Bonds4

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

(2S)-2-[[4-(3-chlorophenyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (PubChem CID 67059933) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is (2S)-2-[[4-(3-chlorophenyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name(2S)-2-[[4-(3-chlorophenyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
PubChem CID67059933
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name(2S)-2-[[4-(3-chlorophenyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESO=c1ccn2c(n1)O[C@H](COc1ccc(-c3cccc(Cl)c3)cc1)C2
InChIInChI=1S/C19H15ClN2O3/c20-15-3-1-2-14(10-15)13-4-6-16(7-5-13)24-12-17-11-22-9-8-18(23)21-19(22)25-17/h1-10,17H,11-12H2/t17-/m0/s1
InChIKeyWJOJTNCSNWPNPX-KRWDZBQOSA-N
XLogP3.40
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(3-chlorophenyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of (2S)-2-[[4-(3-chlorophenyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (CID 67059933) is (2S)-2-[[4-(3-chlorophenyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for (2S)-2-[[4-(3-chlorophenyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for (2S)-2-[[4-(3-chlorophenyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is O=c1ccn2c(n1)O[C@H](COc1ccc(-c3cccc(Cl)c3)cc1)C2.
What is the InChIKey of (2S)-2-[[4-(3-chlorophenyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The InChIKey is WJOJTNCSNWPNPX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c20-15-3-1-2-14(10-15)13-4-6-16(7-5-13)24-12-17-11-22-9-8-18(23)21-19(22)25-17/h1-10,17H,11-12H2/t17-/m0/s1.
What are the key properties of (2S)-2-[[4-(3-chlorophenyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
(2S)-2-[[4-(3-chlorophenyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one has a molecular weight of 354.79 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(3-chlorophenyl)phenoxy]methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 67059933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).