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

C14H16FN3O — CID 51137161

IUPAC2-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc([C@H]2CCN(Cc3ccc(F)cc3)C2)o1
InChIInChI=1S/C14H16FN3O/c1-10-16-17-14(19-10)12-6-7-18(9-12)8-11-2-4-13(15)5-3-11/h2-5,12H,6-9H2,1H3/t12-/m0/s1
InChIKeyGRWDAJWJNNUSPB-LBPRGKRZSA-N
MW261.30 g/mol
LogP2.51
Rot. Bonds3

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

2-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 51137161) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID51137161
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc([C@H]2CCN(Cc3ccc(F)cc3)C2)o1
InChIInChI=1S/C14H16FN3O/c1-10-16-17-14(19-10)12-6-7-18(9-12)8-11-2-4-13(15)5-3-11/h2-5,12H,6-9H2,1H3/t12-/m0/s1
InChIKeyGRWDAJWJNNUSPB-LBPRGKRZSA-N
XLogP2.51
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole (CID 51137161) is 2-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole is Cc1nnc([C@H]2CCN(Cc3ccc(F)cc3)C2)o1.
What is the InChIKey of 2-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is GRWDAJWJNNUSPB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-10-16-17-14(19-10)12-6-7-18(9-12)8-11-2-4-13(15)5-3-11/h2-5,12H,6-9H2,1H3/t12-/m0/s1.
What are the key properties of 2-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole?
2-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 261.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 51137161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).