2-(3-fluoro-5-methoxyphenyl)-6-methyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one

C15H14FN3O3 — CID 134805576

IUPAC2-(3-fluoro-5-methoxyphenyl)-6-methyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
SMILESCOc1cc(F)cc(-c2ncc3c(n2)OCCN(C)C3=O)c1
InChIInChI=1S/C15H14FN3O3/c1-19-3-4-22-14-12(15(19)20)8-17-13(18-14)9-5-10(16)7-11(6-9)21-2/h5-8H,3-4H2,1-2H3
InChIKeyLMDJEQYZFCFWDQ-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.76
Rot. Bonds2

About 2-(3-fluoro-5-methoxyphenyl)-6-methyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one

2-(3-fluoro-5-methoxyphenyl)-6-methyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one (PubChem CID 134805576) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 2-(3-fluoro-5-methoxyphenyl)-6-methyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one.

Molecular Properties

Compound Name2-(3-fluoro-5-methoxyphenyl)-6-methyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
PubChem CID134805576
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name2-(3-fluoro-5-methoxyphenyl)-6-methyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
SMILESCOc1cc(F)cc(-c2ncc3c(n2)OCCN(C)C3=O)c1
InChIInChI=1S/C15H14FN3O3/c1-19-3-4-22-14-12(15(19)20)8-17-13(18-14)9-5-10(16)7-11(6-9)21-2/h5-8H,3-4H2,1-2H3
InChIKeyLMDJEQYZFCFWDQ-UHFFFAOYSA-N
XLogP1.76
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-fluoro-5-methoxyphenyl)-6-methyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-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 2-(3-fluoro-5-methoxyphenyl)-6-methyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The IUPAC name of 2-(3-fluoro-5-methoxyphenyl)-6-methyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one (CID 134805576) is 2-(3-fluoro-5-methoxyphenyl)-6-methyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one.
What is the SMILES notation for 2-(3-fluoro-5-methoxyphenyl)-6-methyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The canonical SMILES for 2-(3-fluoro-5-methoxyphenyl)-6-methyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one is COc1cc(F)cc(-c2ncc3c(n2)OCCN(C)C3=O)c1.
What is the InChIKey of 2-(3-fluoro-5-methoxyphenyl)-6-methyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The InChIKey is LMDJEQYZFCFWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c1-19-3-4-22-14-12(15(19)20)8-17-13(18-14)9-5-10(16)7-11(6-9)21-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-(3-fluoro-5-methoxyphenyl)-6-methyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
2-(3-fluoro-5-methoxyphenyl)-6-methyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one has a molecular weight of 303.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methoxyphenyl)-6-methyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one is sourced from PubChem (CID 134805576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).