3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide

C18H19N5O4 — CID 86284289

IUPAC3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide
SMILESCn1nc(C(=O)NCCc2noc(C3CCCO3)n2)c2ccccc2c1=O
InChIInChI=1S/C18H19N5O4/c1-23-18(25)12-6-3-2-5-11(12)15(21-23)16(24)19-9-8-14-20-17(27-22-14)13-7-4-10-26-13/h2-3,5-6,13H,4,7-10H2,1H3,(H,19,24)
InChIKeyFQFBTYSVDMUZLG-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.14
Rot. Bonds5

About 3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide

3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide (PubChem CID 86284289) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide
PubChem CID86284289
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide
SMILESCn1nc(C(=O)NCCc2noc(C3CCCO3)n2)c2ccccc2c1=O
InChIInChI=1S/C18H19N5O4/c1-23-18(25)12-6-3-2-5-11(12)15(21-23)16(24)19-9-8-14-20-17(27-22-14)13-7-4-10-26-13/h2-3,5-6,13H,4,7-10H2,1H3,(H,19,24)
InChIKeyFQFBTYSVDMUZLG-UHFFFAOYSA-N
XLogP1.14
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-hydroxy-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyridine-2-carboxamide
CID 99933303
N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyrrolidin-1-ylbenzamide
CID 99973390
2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 77092880
4-morpholin-4-yl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 124853323
N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-thiophen-2-ylacetamide
CID 99935155
N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-4-sulfamoylbenzamide
CID 99936714
N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-thiophen-2-ylacetamide
CID 99935158
N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-4-sulfamoylbenzamide
CID 99936713
3-(1H-indol-3-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide
CID 99945911
3-(1-methylpyrrol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 70772071
3-(2-methylbenzimidazol-1-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide
CID 99974647
1-(4-fluorophenyl)-4-methyl-2-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide
CID 172659304

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide (CID 86284289) is 3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide is Cn1nc(C(=O)NCCc2noc(C3CCCO3)n2)c2ccccc2c1=O.
What is the InChIKey of 3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide?
The InChIKey is FQFBTYSVDMUZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-23-18(25)12-6-3-2-5-11(12)15(21-23)16(24)19-9-8-14-20-17(27-22-14)13-7-4-10-26-13/h2-3,5-6,13H,4,7-10H2,1H3,(H,19,24).
What are the key properties of 3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide?
3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide is sourced from PubChem (CID 86284289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).