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

C19H18N4O2 — CID 134805886

IUPAC4-benzyl-7-(1-methylpyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCn1cc(-c2ccc3c(n2)CN(Cc2ccccc2)C(=O)CO3)cn1
InChIInChI=1S/C19H18N4O2/c1-22-11-15(9-20-22)16-7-8-18-17(21-16)12-23(19(24)13-25-18)10-14-5-3-2-4-6-14/h2-9,11H,10,12-13H2,1H3
InChIKeyKDORRQVEBFJWMM-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.40
Rot. Bonds3

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

4-benzyl-7-(1-methylpyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134805886) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-benzyl-7-(1-methylpyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name4-benzyl-7-(1-methylpyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134805886
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-benzyl-7-(1-methylpyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCn1cc(-c2ccc3c(n2)CN(Cc2ccccc2)C(=O)CO3)cn1
InChIInChI=1S/C19H18N4O2/c1-22-11-15(9-20-22)16-7-8-18-17(21-16)12-23(19(24)13-25-18)10-14-5-3-2-4-6-14/h2-9,11H,10,12-13H2,1H3
InChIKeyKDORRQVEBFJWMM-UHFFFAOYSA-N
XLogP2.40
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-(1-methylpyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 4-benzyl-7-(1-methylpyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134805886) is 4-benzyl-7-(1-methylpyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 4-benzyl-7-(1-methylpyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 4-benzyl-7-(1-methylpyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is Cn1cc(-c2ccc3c(n2)CN(Cc2ccccc2)C(=O)CO3)cn1.
What is the InChIKey of 4-benzyl-7-(1-methylpyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is KDORRQVEBFJWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-22-11-15(9-20-22)16-7-8-18-17(21-16)12-23(19(24)13-25-18)10-14-5-3-2-4-6-14/h2-9,11H,10,12-13H2,1H3.
What are the key properties of 4-benzyl-7-(1-methylpyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
4-benzyl-7-(1-methylpyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 334.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-(1-methylpyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134805886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).