1-(cyclobutylmethyl)-4-(5-phthalazin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one

C19H19N5O2 — CID 154782347

IUPAC1-(cyclobutylmethyl)-4-(5-phthalazin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
SMILESO=C1CC(c2noc(-c3nncc4ccccc34)n2)CN1CC1CCC1
InChIInChI=1S/C19H19N5O2/c25-16-8-14(11-24(16)10-12-4-3-5-12)18-21-19(26-23-18)17-15-7-2-1-6-13(15)9-20-22-17/h1-2,6-7,9,12,14H,3-5,8,10-11H2
InChIKeyYHWITARYOGRPRZ-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.80
Rot. Bonds4

About 1-(cyclobutylmethyl)-4-(5-phthalazin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one

1-(cyclobutylmethyl)-4-(5-phthalazin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one (PubChem CID 154782347) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-4-(5-phthalazin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-4-(5-phthalazin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
PubChem CID154782347
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name1-(cyclobutylmethyl)-4-(5-phthalazin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
SMILESO=C1CC(c2noc(-c3nncc4ccccc34)n2)CN1CC1CCC1
InChIInChI=1S/C19H19N5O2/c25-16-8-14(11-24(16)10-12-4-3-5-12)18-21-19(26-23-18)17-15-7-2-1-6-13(15)9-20-22-17/h1-2,6-7,9,12,14H,3-5,8,10-11H2
InChIKeyYHWITARYOGRPRZ-UHFFFAOYSA-N
XLogP2.80
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-1-(cyclobutylmethyl)-4-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 164641377
1-cyclohexyl-4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 91916902
4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 91906748
4-[3-[1-(cyclobutylmethyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one
CID 146136420
3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole
CID 167792419
3-[cyclopentyl(ethoxy)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole
CID 136570260
(4S)-4-(1H-benzimidazol-2-yl)-1-(cyclopropylmethyl)pyrrolidin-2-one
CID 40713858
1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 91916927
5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97433577
1-(cyclopropylmethyl)-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one
CID 11595198
1-ethyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 154781066
3-cyclopropyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phthalazin-1-yl]-1,2,4-oxadiazole
CID 53182452

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-4-(5-phthalazin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-4-(5-phthalazin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one (CID 154782347) is 1-(cyclobutylmethyl)-4-(5-phthalazin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-4-(5-phthalazin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-4-(5-phthalazin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one is O=C1CC(c2noc(-c3nncc4ccccc34)n2)CN1CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-4-(5-phthalazin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one?
The InChIKey is YHWITARYOGRPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-16-8-14(11-24(16)10-12-4-3-5-12)18-21-19(26-23-18)17-15-7-2-1-6-13(15)9-20-22-17/h1-2,6-7,9,12,14H,3-5,8,10-11H2.
What are the key properties of 1-(cyclobutylmethyl)-4-(5-phthalazin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one?
1-(cyclobutylmethyl)-4-(5-phthalazin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one has a molecular weight of 349.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-4-(5-phthalazin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 154782347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).