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

C18H18FN5O — CID 110236060

IUPAC2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole
SMILESCc1cnc(-c2nnc(C3CCN(Cc4ccccc4F)C3)o2)cn1
InChIInChI=1S/C18H18FN5O/c1-12-8-21-16(9-20-12)18-23-22-17(25-18)14-6-7-24(11-14)10-13-4-2-3-5-15(13)19/h2-5,8-9,14H,6-7,10-11H2,1H3
InChIKeyKVGQNBGCDKABNJ-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.96
Rot. Bonds4

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

2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole (PubChem CID 110236060) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole
PubChem CID110236060
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole
SMILESCc1cnc(-c2nnc(C3CCN(Cc4ccccc4F)C3)o2)cn1
InChIInChI=1S/C18H18FN5O/c1-12-8-21-16(9-20-12)18-23-22-17(25-18)14-6-7-24(11-14)10-13-4-2-3-5-15(13)19/h2-5,8-9,14H,6-7,10-11H2,1H3
InChIKeyKVGQNBGCDKABNJ-UHFFFAOYSA-N
XLogP2.96
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole
CID 92563198
2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 95849716
2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 110243014
2-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]phenol
CID 75615431
2-(2-fluorophenyl)-5-[(3S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137659
2-(2-fluorophenyl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615658
2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 124953007
2-(4-chlorophenyl)-5-[(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137234
N,N-dimethyl-4-[5-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]aniline
CID 75615538
2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92601774
2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92572835
2-(2-fluorophenyl)-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137666

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole (CID 110236060) is 2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole is Cc1cnc(-c2nnc(C3CCN(Cc4ccccc4F)C3)o2)cn1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole?
The InChIKey is KVGQNBGCDKABNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-12-8-21-16(9-20-12)18-23-22-17(25-18)14-6-7-24(11-14)10-13-4-2-3-5-15(13)19/h2-5,8-9,14H,6-7,10-11H2,1H3.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole?
2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole has a molecular weight of 339.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 110236060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).