2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phthalazin-1-one

C15H14N4O3 — CID 72859561

IUPAC2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phthalazin-1-one
SMILESO=c1c2ccccc2cnn1Cc1noc(C2CCCO2)n1
InChIInChI=1S/C15H14N4O3/c20-15-11-5-2-1-4-10(11)8-16-19(15)9-13-17-14(22-18-13)12-6-3-7-21-12/h1-2,4-5,8,12H,3,6-7,9H2
InChIKeyYYBBACJJDGJDMP-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.68
Rot. Bonds3

About 2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phthalazin-1-one

2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phthalazin-1-one (PubChem CID 72859561) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phthalazin-1-one
PubChem CID72859561
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phthalazin-1-one
SMILESO=c1c2ccccc2cnn1Cc1noc(C2CCCO2)n1
InChIInChI=1S/C15H14N4O3/c20-15-11-5-2-1-4-10(11)8-16-19(15)9-13-17-14(22-18-13)12-6-3-7-21-12/h1-2,4-5,8,12H,3,6-7,9H2
InChIKeyYYBBACJJDGJDMP-UHFFFAOYSA-N
XLogP1.68
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[bis(oxolan-2-ylmethyl)amino]methyl]phthalazin-1-one
CID 47060692
5-[methyl(2-phenylethyl)amino]-2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridazin-3-one
CID 72868473
1-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 97198798
4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one
CID 97188640
5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 95549639
3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide
CID 86284289
5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 124753376
2-[2-(oxan-2-yloxy)ethyl]phthalazin-1-one
CID 19979310
2-(quinolin-2-ylmethyl)phthalazin-1-one
CID 72909560
methyl 1-oxo-2-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]isoquinoline-7-carboxylate
CID 97195665
5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 97251152
5-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 95188869

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phthalazin-1-one?
The IUPAC name of 2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phthalazin-1-one (CID 72859561) is 2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phthalazin-1-one.
What is the SMILES notation for 2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phthalazin-1-one?
The canonical SMILES for 2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phthalazin-1-one is O=c1c2ccccc2cnn1Cc1noc(C2CCCO2)n1.
What is the InChIKey of 2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phthalazin-1-one?
The InChIKey is YYBBACJJDGJDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c20-15-11-5-2-1-4-10(11)8-16-19(15)9-13-17-14(22-18-13)12-6-3-7-21-12/h1-2,4-5,8,12H,3,6-7,9H2.
What are the key properties of 2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phthalazin-1-one?
2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phthalazin-1-one has a molecular weight of 298.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phthalazin-1-one is sourced from PubChem (CID 72859561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).