4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one

C16H15N5O2 — CID 72879147

IUPAC4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one
SMILESO=C1CC(c2nc(-c3ccc4nc[nH]c4c3)no2)CN1C1CC1
InChIInChI=1S/C16H15N5O2/c22-14-6-10(7-21(14)11-2-3-11)16-19-15(20-23-16)9-1-4-12-13(5-9)18-8-17-12/h1,4-5,8,10-11H,2-3,6-7H2,(H,17,18)
InChIKeyIYUCTGHKWMGCDU-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.09
Rot. Bonds3

About 4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one

4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one (PubChem CID 72879147) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one
PubChem CID72879147
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one
SMILESO=C1CC(c2nc(-c3ccc4nc[nH]c4c3)no2)CN1C1CC1
InChIInChI=1S/C16H15N5O2/c22-14-6-10(7-21(14)11-2-3-11)16-19-15(20-23-16)9-1-4-12-13(5-9)18-8-17-12/h1,4-5,8,10-11H,2-3,6-7H2,(H,17,18)
InChIKeyIYUCTGHKWMGCDU-UHFFFAOYSA-N
XLogP2.09
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-propan-2-ylpyrrolidin-2-one
CID 72911459
5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)piperidin-2-one
CID 72922799
(5R)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-phenylethyl)piperidin-2-one
CID 97115262
(5S)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluorophenyl)methyl]piperidin-2-one
CID 97143504
3-(3H-benzimidazol-5-yl)-5-(1-methylazepan-2-yl)-1,2,4-oxadiazole
CID 72847122
1-[(3R)-3-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methoxyethanone
CID 97435593
(4R)-1-cyclopentyl-4-[3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93070146
1-cyclopentyl-4-[3-(1-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 53009456
3-(3H-benzimidazol-5-yl)-5-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 97444360
3H-benzimidazol-5-yl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 87053044
1-(3H-benzimidazol-5-yl)-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]ethane-1,2-diamine
CID 146422703
3-(3H-benzimidazol-5-yl)-5-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 166213858

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one?
The IUPAC name of 4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one (CID 72879147) is 4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one.
What is the SMILES notation for 4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one?
The canonical SMILES for 4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one is O=C1CC(c2nc(-c3ccc4nc[nH]c4c3)no2)CN1C1CC1.
What is the InChIKey of 4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one?
The InChIKey is IYUCTGHKWMGCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-14-6-10(7-21(14)11-2-3-11)16-19-15(20-23-16)9-1-4-12-13(5-9)18-8-17-12/h1,4-5,8,10-11H,2-3,6-7H2,(H,17,18).
What are the key properties of 4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one?
4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one has a molecular weight of 309.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one is sourced from PubChem (CID 72879147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).