2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide

C19H23N5O3 — CID 49032784

IUPAC2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide
SMILESCC(C)c1noc(CCCNC(=O)Cc2nn(C)c(=O)c3ccccc23)n1
InChIInChI=1S/C19H23N5O3/c1-12(2)18-21-17(27-23-18)9-6-10-20-16(25)11-15-13-7-4-5-8-14(13)19(26)24(3)22-15/h4-5,7-8,12H,6,9-11H2,1-3H3,(H,20,25)
InChIKeyVATXTNHZNGCFBB-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.73
Rot. Bonds7

About 2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide

2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide (PubChem CID 49032784) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide
PubChem CID49032784
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide
SMILESCC(C)c1noc(CCCNC(=O)Cc2nn(C)c(=O)c3ccccc23)n1
InChIInChI=1S/C19H23N5O3/c1-12(2)18-21-17(27-23-18)9-6-10-20-16(25)11-15-13-7-4-5-8-14(13)19(26)24(3)22-15/h4-5,7-8,12H,6,9-11H2,1-3H3,(H,20,25)
InChIKeyVATXTNHZNGCFBB-UHFFFAOYSA-N
XLogP1.73
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methyl-4-oxophthalazin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301808
N-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 120831381
N-[[2-(hydroxymethyl)phenyl]methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110908899
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide
CID 60590938
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55633973
N-(2-cyclopentylsulfanylethyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 32542356
3-chloro-N-[2-oxo-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]ethyl]benzamide
CID 49084815
N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110893892
2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 30754178
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-1-carboxamide
CID 52826046
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide
CID 56565118
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 47029635

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
The IUPAC name of 2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide (CID 49032784) is 2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide is CC(C)c1noc(CCCNC(=O)Cc2nn(C)c(=O)c3ccccc23)n1.
What is the InChIKey of 2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
The InChIKey is VATXTNHZNGCFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12(2)18-21-17(27-23-18)9-6-10-20-16(25)11-15-13-7-4-5-8-14(13)19(26)24(3)22-15/h4-5,7-8,12H,6,9-11H2,1-3H3,(H,20,25).
What are the key properties of 2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide has a molecular weight of 369.43 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide is sourced from PubChem (CID 49032784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).