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

C16H16FN5O — CID 51137671

IUPAC2-(2-fluorophenyl)-5-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc([C@H]2CCN(Cc3ncc[nH]3)C2)o1
InChIInChI=1S/C16H16FN5O/c17-13-4-2-1-3-12(13)16-21-20-15(23-16)11-5-8-22(9-11)10-14-18-6-7-19-14/h1-4,6-7,11H,5,8-10H2,(H,18,19)/t11-/m0/s1
InChIKeyJSUKEUOHDAIKRC-NSHDSACASA-N
MW313.34 g/mol
LogP2.59
Rot. Bonds4

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

2-(2-fluorophenyl)-5-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 51137671) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID51137671
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name2-(2-fluorophenyl)-5-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc([C@H]2CCN(Cc3ncc[nH]3)C2)o1
InChIInChI=1S/C16H16FN5O/c17-13-4-2-1-3-12(13)16-21-20-15(23-16)11-5-8-22(9-11)10-14-18-6-7-19-14/h1-4,6-7,11H,5,8-10H2,(H,18,19)/t11-/m0/s1
InChIKeyJSUKEUOHDAIKRC-NSHDSACASA-N
XLogP2.59
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-fluorophenyl)-5-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole (CID 51137671) is 2-(2-fluorophenyl)-5-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-fluorophenyl)-5-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-fluorophenyl)-5-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole is Fc1ccccc1-c1nnc([C@H]2CCN(Cc3ncc[nH]3)C2)o1.
What is the InChIKey of 2-(2-fluorophenyl)-5-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is JSUKEUOHDAIKRC-NSHDSACASA-N. The full InChI is InChI=1S/C16H16FN5O/c17-13-4-2-1-3-12(13)16-21-20-15(23-16)11-5-8-22(9-11)10-14-18-6-7-19-14/h1-4,6-7,11H,5,8-10H2,(H,18,19)/t11-/m0/s1.
What are the key properties of 2-(2-fluorophenyl)-5-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
2-(2-fluorophenyl)-5-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 313.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 51137671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).