N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,3-oxazepan-3-yl)ethoxy]phenyl]acetamide

C19H26N4O3 — CID 69370062

IUPACN-[3-(2-methylpyrazol-3-yl)-4-[2-(1,3-oxazepan-3-yl)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCN2CCCCOC2)c(-c2ccnn2C)c1
InChIInChI=1S/C19H26N4O3/c1-15(24)21-16-5-6-19(17(13-16)18-7-8-20-22(18)2)26-12-10-23-9-3-4-11-25-14-23/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,21,24)
InChIKeyAIQKWWCRVQKMKH-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.49
Rot. Bonds6

About N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,3-oxazepan-3-yl)ethoxy]phenyl]acetamide

N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,3-oxazepan-3-yl)ethoxy]phenyl]acetamide (PubChem CID 69370062) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,3-oxazepan-3-yl)ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-methylpyrazol-3-yl)-4-[2-(1,3-oxazepan-3-yl)ethoxy]phenyl]acetamide
PubChem CID69370062
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[3-(2-methylpyrazol-3-yl)-4-[2-(1,3-oxazepan-3-yl)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCN2CCCCOC2)c(-c2ccnn2C)c1
InChIInChI=1S/C19H26N4O3/c1-15(24)21-16-5-6-19(17(13-16)18-7-8-20-22(18)2)26-12-10-23-9-3-4-11-25-14-23/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,21,24)
InChIKeyAIQKWWCRVQKMKH-UHFFFAOYSA-N
XLogP2.49
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,3-oxazepan-3-yl)ethoxy]phenyl]acetamide?
The IUPAC name of N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,3-oxazepan-3-yl)ethoxy]phenyl]acetamide (CID 69370062) is N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,3-oxazepan-3-yl)ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,3-oxazepan-3-yl)ethoxy]phenyl]acetamide?
The canonical SMILES for N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,3-oxazepan-3-yl)ethoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCCN2CCCCOC2)c(-c2ccnn2C)c1.
What is the InChIKey of N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,3-oxazepan-3-yl)ethoxy]phenyl]acetamide?
The InChIKey is AIQKWWCRVQKMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-15(24)21-16-5-6-19(17(13-16)18-7-8-20-22(18)2)26-12-10-23-9-3-4-11-25-14-23/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,21,24).
What are the key properties of N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,3-oxazepan-3-yl)ethoxy]phenyl]acetamide?
N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,3-oxazepan-3-yl)ethoxy]phenyl]acetamide has a molecular weight of 358.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,3-oxazepan-3-yl)ethoxy]phenyl]acetamide is sourced from PubChem (CID 69370062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).