7-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one

C21H16F2N2O2 — CID 134805575

IUPAC7-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESO=C1COc2ccc(-c3ccc(F)cc3)nc2CN1Cc1ccccc1F
InChIInChI=1S/C21H16F2N2O2/c22-16-7-5-14(6-8-16)18-9-10-20-19(24-18)12-25(21(26)13-27-20)11-15-3-1-2-4-17(15)23/h1-10H,11-13H2
InChIKeyKMHYUNJVQRPXLX-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.95
Rot. Bonds3

About 7-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one

7-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134805575) has the molecular formula C21H16F2N2O2 and a molecular weight of 366.37 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134805575
Molecular FormulaC21H16F2N2O2
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name7-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESO=C1COc2ccc(-c3ccc(F)cc3)nc2CN1Cc1ccccc1F
InChIInChI=1S/C21H16F2N2O2/c22-16-7-5-14(6-8-16)18-9-10-20-19(24-18)12-25(21(26)13-27-20)11-15-3-1-2-4-17(15)23/h1-10H,11-13H2
InChIKeyKMHYUNJVQRPXLX-UHFFFAOYSA-N
XLogP3.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluorophenyl)methyl]-7-(2-phenoxyethylamino)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806884
N-(4-fluorophenyl)-2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]acetamide
CID 4783267
2-(2-methoxyphenyl)-4-[(6-methyl-2-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 45167388
7-(2-fluoroanilino)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805201
7-(2-fluoroanilino)-4-[(4-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805549
4-[(2-fluorophenyl)methyl]-7-(pyridin-3-ylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805561
4-benzyl-7-(3,5-difluorophenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805573
4-[(2-fluorophenyl)methyl]-7-phenylmethoxy-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805893
7-(3-fluoroanilino)-4-[(3-methoxyphenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805894
4-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805909
4-[(4-fluorophenyl)methyl]-7-(N-methylanilino)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806522
4-[(4-fluorophenyl)methyl]-7-pyridin-4-yl-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806875

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 7-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134805575) is 7-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 7-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 7-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one is O=C1COc2ccc(-c3ccc(F)cc3)nc2CN1Cc1ccccc1F.
What is the InChIKey of 7-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is KMHYUNJVQRPXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O2/c22-16-7-5-14(6-8-16)18-9-10-20-19(24-18)12-25(21(26)13-27-20)11-15-3-1-2-4-17(15)23/h1-10H,11-13H2.
What are the key properties of 7-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
7-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 366.37 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134805575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).