4-[(3-fluorophenyl)methyl]-8-methyl-2-propyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one

C19H21FN2O2 — CID 134786600

IUPAC4-[(3-fluorophenyl)methyl]-8-methyl-2-propyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
SMILESCCCC1CN(Cc2cccc(F)c2)C(=O)c2ccc(C)nc2O1
InChIInChI=1S/C19H21FN2O2/c1-3-5-16-12-22(11-14-6-4-7-15(20)10-14)19(23)17-9-8-13(2)21-18(17)24-16/h4,6-10,16H,3,5,11-12H2,1-2H3
InChIKeyPVZIJVDLLRWSDD-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.73
Rot. Bonds4

About 4-[(3-fluorophenyl)methyl]-8-methyl-2-propyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one

4-[(3-fluorophenyl)methyl]-8-methyl-2-propyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one (PubChem CID 134786600) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-8-methyl-2-propyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-8-methyl-2-propyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
PubChem CID134786600
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name4-[(3-fluorophenyl)methyl]-8-methyl-2-propyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
SMILESCCCC1CN(Cc2cccc(F)c2)C(=O)c2ccc(C)nc2O1
InChIInChI=1S/C19H21FN2O2/c1-3-5-16-12-22(11-14-6-4-7-15(20)10-14)19(23)17-9-8-13(2)21-18(17)24-16/h4,6-10,16H,3,5,11-12H2,1-2H3
InChIKeyPVZIJVDLLRWSDD-UHFFFAOYSA-N
XLogP3.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-8-methyl-2-propyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-8-methyl-2-propyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one (CID 134786600) is 4-[(3-fluorophenyl)methyl]-8-methyl-2-propyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-8-methyl-2-propyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-8-methyl-2-propyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one is CCCC1CN(Cc2cccc(F)c2)C(=O)c2ccc(C)nc2O1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-8-methyl-2-propyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The InChIKey is PVZIJVDLLRWSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-3-5-16-12-22(11-14-6-4-7-15(20)10-14)19(23)17-9-8-13(2)21-18(17)24-16/h4,6-10,16H,3,5,11-12H2,1-2H3.
What are the key properties of 4-[(3-fluorophenyl)methyl]-8-methyl-2-propyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
4-[(3-fluorophenyl)methyl]-8-methyl-2-propyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one has a molecular weight of 328.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-8-methyl-2-propyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one is sourced from PubChem (CID 134786600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).