4-[(4-fluorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one

C14H11FN2O2 — CID 58102122

IUPAC4-[(4-fluorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2cccnc2N1Cc1ccc(F)cc1
InChIInChI=1S/C14H11FN2O2/c15-11-5-3-10(4-6-11)8-17-13(18)9-19-12-2-1-7-16-14(12)17/h1-7H,8-9H2
InChIKeyVONWPBFADFZDPL-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.15
Rot. Bonds2

About 4-[(4-fluorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one

4-[(4-fluorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 58102122) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID58102122
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name4-[(4-fluorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2cccnc2N1Cc1ccc(F)cc1
InChIInChI=1S/C14H11FN2O2/c15-11-5-3-10(4-6-11)8-17-13(18)9-19-12-2-1-7-16-14(12)17/h1-7H,8-9H2
InChIKeyVONWPBFADFZDPL-UHFFFAOYSA-N
XLogP2.15
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 4-[(4-fluorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one (CID 58102122) is 4-[(4-fluorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2cccnc2N1Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is VONWPBFADFZDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c15-11-5-3-10(4-6-11)8-17-13(18)9-19-12-2-1-7-16-14(12)17/h1-7H,8-9H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
4-[(4-fluorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 258.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 58102122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).