N-(5-methyl-1H-pyrazol-4-yl)-2-(5-oxospiro[3H-1,4-benzoxazepine-2,4'-oxane]-4-yl)acetamide

C19H22N4O4 — CID 92606258

IUPACN-(5-methyl-1H-pyrazol-4-yl)-2-(5-oxospiro[3H-1,4-benzoxazepine-2,4'-oxane]-4-yl)acetamide
SMILESCc1[nH]ncc1NC(=O)CN1CC2(CCOCC2)Oc2ccccc2C1=O
InChIInChI=1S/C19H22N4O4/c1-13-15(10-20-22-13)21-17(24)11-23-12-19(6-8-26-9-7-19)27-16-5-3-2-4-14(16)18(23)25/h2-5,10H,6-9,11-12H2,1H3,(H,20,22)(H,21,24)
InChIKeyZYAHIXCXPSPMND-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.74
Rot. Bonds3

About N-(5-methyl-1H-pyrazol-4-yl)-2-(5-oxospiro[3H-1,4-benzoxazepine-2,4'-oxane]-4-yl)acetamide

N-(5-methyl-1H-pyrazol-4-yl)-2-(5-oxospiro[3H-1,4-benzoxazepine-2,4'-oxane]-4-yl)acetamide (PubChem CID 92606258) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-4-yl)-2-(5-oxospiro[3H-1,4-benzoxazepine-2,4'-oxane]-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-4-yl)-2-(5-oxospiro[3H-1,4-benzoxazepine-2,4'-oxane]-4-yl)acetamide
PubChem CID92606258
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-(5-methyl-1H-pyrazol-4-yl)-2-(5-oxospiro[3H-1,4-benzoxazepine-2,4'-oxane]-4-yl)acetamide
SMILESCc1[nH]ncc1NC(=O)CN1CC2(CCOCC2)Oc2ccccc2C1=O
InChIInChI=1S/C19H22N4O4/c1-13-15(10-20-22-13)21-17(24)11-23-12-19(6-8-26-9-7-19)27-16-5-3-2-4-14(16)18(23)25/h2-5,10H,6-9,11-12H2,1H3,(H,20,22)(H,21,24)
InChIKeyZYAHIXCXPSPMND-UHFFFAOYSA-N
XLogP1.74
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-4-yl)-2-(5-oxospiro[3H-1,4-benzoxazepine-2,4'-oxane]-4-yl)acetamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-4-yl)-2-(5-oxospiro[3H-1,4-benzoxazepine-2,4'-oxane]-4-yl)acetamide (CID 92606258) is N-(5-methyl-1H-pyrazol-4-yl)-2-(5-oxospiro[3H-1,4-benzoxazepine-2,4'-oxane]-4-yl)acetamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-4-yl)-2-(5-oxospiro[3H-1,4-benzoxazepine-2,4'-oxane]-4-yl)acetamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-4-yl)-2-(5-oxospiro[3H-1,4-benzoxazepine-2,4'-oxane]-4-yl)acetamide is Cc1[nH]ncc1NC(=O)CN1CC2(CCOCC2)Oc2ccccc2C1=O.
What is the InChIKey of N-(5-methyl-1H-pyrazol-4-yl)-2-(5-oxospiro[3H-1,4-benzoxazepine-2,4'-oxane]-4-yl)acetamide?
The InChIKey is ZYAHIXCXPSPMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-13-15(10-20-22-13)21-17(24)11-23-12-19(6-8-26-9-7-19)27-16-5-3-2-4-14(16)18(23)25/h2-5,10H,6-9,11-12H2,1H3,(H,20,22)(H,21,24).
What are the key properties of N-(5-methyl-1H-pyrazol-4-yl)-2-(5-oxospiro[3H-1,4-benzoxazepine-2,4'-oxane]-4-yl)acetamide?
N-(5-methyl-1H-pyrazol-4-yl)-2-(5-oxospiro[3H-1,4-benzoxazepine-2,4'-oxane]-4-yl)acetamide has a molecular weight of 370.41 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-4-yl)-2-(5-oxospiro[3H-1,4-benzoxazepine-2,4'-oxane]-4-yl)acetamide is sourced from PubChem (CID 92606258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).