2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole

C15H16N6O — CID 51137318

IUPAC2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1cc(-c2nnc([C@H]3CCN(Cc4ncc[nH]4)C3)o2)ccn1
InChIInChI=1S/C15H16N6O/c1-4-16-5-2-11(1)14-19-20-15(22-14)12-3-8-21(9-12)10-13-17-6-7-18-13/h1-2,4-7,12H,3,8-10H2,(H,17,18)/t12-/m0/s1
InChIKeyQXHXZWIMQDFIFJ-LBPRGKRZSA-N
MW296.33 g/mol
LogP1.84
Rot. Bonds4

About 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole

2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 51137318) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID51137318
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1cc(-c2nnc([C@H]3CCN(Cc4ncc[nH]4)C3)o2)ccn1
InChIInChI=1S/C15H16N6O/c1-4-16-5-2-11(1)14-19-20-15(22-14)12-3-8-21(9-12)10-13-17-6-7-18-13/h1-2,4-7,12H,3,8-10H2,(H,17,18)/t12-/m0/s1
InChIKeyQXHXZWIMQDFIFJ-LBPRGKRZSA-N
XLogP1.84
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 51137318) is 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is c1cc(-c2nnc([C@H]3CCN(Cc4ncc[nH]4)C3)o2)ccn1.
What is the InChIKey of 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is QXHXZWIMQDFIFJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N6O/c1-4-16-5-2-11(1)14-19-20-15(22-14)12-3-8-21(9-12)10-13-17-6-7-18-13/h1-2,4-7,12H,3,8-10H2,(H,17,18)/t12-/m0/s1.
What are the key properties of 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 296.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 51137318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).