3-(3H-benzimidazol-5-yl)-5-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole

C19H19N5O2 — CID 97444360

IUPAC3-(3H-benzimidazol-5-yl)-5-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESc1coc(CN2CCC[C@H](c3nc(-c4ccc5nc[nH]c5c4)no3)C2)c1
InChIInChI=1S/C19H19N5O2/c1-3-14(10-24(7-1)11-15-4-2-8-25-15)19-22-18(23-26-19)13-5-6-16-17(9-13)21-12-20-16/h2,4-6,8-9,12,14H,1,3,7,10-11H2,(H,20,21)/t14-/m0/s1
InChIKeyUOJZUERDLFTWSG-AWEZNQCLSA-N
MW349.39 g/mol
LogP3.59
Rot. Bonds4

About 3-(3H-benzimidazol-5-yl)-5-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole

3-(3H-benzimidazol-5-yl)-5-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 97444360) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-5-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-5-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID97444360
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name3-(3H-benzimidazol-5-yl)-5-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESc1coc(CN2CCC[C@H](c3nc(-c4ccc5nc[nH]c5c4)no3)C2)c1
InChIInChI=1S/C19H19N5O2/c1-3-14(10-24(7-1)11-15-4-2-8-25-15)19-22-18(23-26-19)13-5-6-16-17(9-13)21-12-20-16/h2,4-6,8-9,12,14H,1,3,7,10-11H2,(H,20,21)/t14-/m0/s1
InChIKeyUOJZUERDLFTWSG-AWEZNQCLSA-N
XLogP3.59
TPSA83.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-3-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methoxyethanone
CID 97435593
5-[1-(furan-2-ylmethyl)piperidin-3-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;dihydrochloride
CID 166597746
4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one
CID 72879147
5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 50973299
3H-benzimidazol-5-yl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 87053044
(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
5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)piperidin-2-one
CID 72922799
4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-propan-2-ylpyrrolidin-2-one
CID 72911459
3-(3H-benzimidazol-5-yl)-5-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-1,2,4-oxadiazole
CID 97454577
1-(3H-benzimidazol-5-yl)-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]ethane-1,2-diamine
CID 146422703

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-5-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-5-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole (CID 97444360) is 3-(3H-benzimidazol-5-yl)-5-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-5-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-5-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole is c1coc(CN2CCC[C@H](c3nc(-c4ccc5nc[nH]c5c4)no3)C2)c1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-5-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is UOJZUERDLFTWSG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-3-14(10-24(7-1)11-15-4-2-8-25-15)19-22-18(23-26-19)13-5-6-16-17(9-13)21-12-20-16/h2,4-6,8-9,12,14H,1,3,7,10-11H2,(H,20,21)/t14-/m0/s1.
What are the key properties of 3-(3H-benzimidazol-5-yl)-5-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole?
3-(3H-benzimidazol-5-yl)-5-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 349.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-5-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97444360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).