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

C19H20N2O3 — CID 134805902

IUPAC4-benzyl-7-(cyclopropylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESO=C1COc2ccc(OCC3CC3)nc2CN1Cc1ccccc1
InChIInChI=1S/C19H20N2O3/c22-19-13-23-17-8-9-18(24-12-15-6-7-15)20-16(17)11-21(19)10-14-4-2-1-3-5-14/h1-5,8-9,15H,6-7,10-13H2
InChIKeyGAYHJWGGNRKAMG-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.79
Rot. Bonds5

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

4-benzyl-7-(cyclopropylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134805902) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-benzyl-7-(cyclopropylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name4-benzyl-7-(cyclopropylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134805902
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-benzyl-7-(cyclopropylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESO=C1COc2ccc(OCC3CC3)nc2CN1Cc1ccccc1
InChIInChI=1S/C19H20N2O3/c22-19-13-23-17-8-9-18(24-12-15-6-7-15)20-16(17)11-21(19)10-14-4-2-1-3-5-14/h1-5,8-9,15H,6-7,10-13H2
InChIKeyGAYHJWGGNRKAMG-UHFFFAOYSA-N
XLogP2.79
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[6-(3-Carbamimidoyl-phenoxy)-5-oxo-1,2,5,6-tetrahydro-pyrazin-2-yloxy]-pyridine-2-carboxamidine
CID 44294144
N-ethyl-N-(3-methylphenyl)-2-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]acetamide
CID 168271423
N-ethyl-N-(3-methylphenyl)-2-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]acetamide
CID 168281454
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
7-(4-fluorophenyl)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805575
4-[(2-fluorophenyl)methyl]-7-phenylmethoxy-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805893
4-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805909
4-[(4-fluorophenyl)methyl]-7-pyridin-4-yl-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806875
7-(cyclopropylmethoxy)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806878
7-(3-hydroxyphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806890
4-benzyl-7-(3-fluoro-4-methoxyphenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806892

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-(cyclopropylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 4-benzyl-7-(cyclopropylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134805902) is 4-benzyl-7-(cyclopropylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 4-benzyl-7-(cyclopropylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 4-benzyl-7-(cyclopropylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is O=C1COc2ccc(OCC3CC3)nc2CN1Cc1ccccc1.
What is the InChIKey of 4-benzyl-7-(cyclopropylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is GAYHJWGGNRKAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-19-13-23-17-8-9-18(24-12-15-6-7-15)20-16(17)11-21(19)10-14-4-2-1-3-5-14/h1-5,8-9,15H,6-7,10-13H2.
What are the key properties of 4-benzyl-7-(cyclopropylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
4-benzyl-7-(cyclopropylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 324.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-(cyclopropylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134805902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).