2-(2-methylpropyl)-6-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,5-dihydropyridazin-3-one

C15H22N4O3 — CID 75523993

IUPAC2-(2-methylpropyl)-6-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,5-dihydropyridazin-3-one
SMILESCC(C)CN1N=C(c2nc(C3CCOCC3)no2)CCC1=O
InChIInChI=1S/C15H22N4O3/c1-10(2)9-19-13(20)4-3-12(17-19)15-16-14(18-22-15)11-5-7-21-8-6-11/h10-11H,3-9H2,1-2H3
InChIKeyKVZKVNMQJXWHHG-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.95
Rot. Bonds4

About 2-(2-methylpropyl)-6-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,5-dihydropyridazin-3-one

2-(2-methylpropyl)-6-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,5-dihydropyridazin-3-one (PubChem CID 75523993) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(2-methylpropyl)-6-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-6-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,5-dihydropyridazin-3-one
PubChem CID75523993
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-(2-methylpropyl)-6-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,5-dihydropyridazin-3-one
SMILESCC(C)CN1N=C(c2nc(C3CCOCC3)no2)CCC1=O
InChIInChI=1S/C15H22N4O3/c1-10(2)9-19-13(20)4-3-12(17-19)15-16-14(18-22-15)11-5-7-21-8-6-11/h10-11H,3-9H2,1-2H3
InChIKeyKVZKVNMQJXWHHG-UHFFFAOYSA-N
XLogP1.95
TPSA80.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-3-(oxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 65334460
3-methyl-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65329040
3-methyl-1-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 91918755
5-ethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65329640
3-methyl-1-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one
CID 91918866
ethyl 4-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentanoate
CID 79482082
4,5-difluoro-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65329043
1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
CID 97443276
4,5-dimethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65329462
N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 65334208
5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 146568042
2-methyl-1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 110876417

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-6-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-(2-methylpropyl)-6-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,5-dihydropyridazin-3-one (CID 75523993) is 2-(2-methylpropyl)-6-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-(2-methylpropyl)-6-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-(2-methylpropyl)-6-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,5-dihydropyridazin-3-one is CC(C)CN1N=C(c2nc(C3CCOCC3)no2)CCC1=O.
What is the InChIKey of 2-(2-methylpropyl)-6-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,5-dihydropyridazin-3-one?
The InChIKey is KVZKVNMQJXWHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10(2)9-19-13(20)4-3-12(17-19)15-16-14(18-22-15)11-5-7-21-8-6-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-6-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,5-dihydropyridazin-3-one?
2-(2-methylpropyl)-6-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,5-dihydropyridazin-3-one has a molecular weight of 306.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-6-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 75523993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).