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

C17H14FN3O2S — CID 95186482

IUPAC(4S)-1-[(3-fluorophenyl)methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESO=C1C[C@H](c2nc(-c3cccs3)no2)CN1Cc1cccc(F)c1
InChIInChI=1S/C17H14FN3O2S/c18-13-4-1-3-11(7-13)9-21-10-12(8-15(21)22)17-19-16(20-23-17)14-5-2-6-24-14/h1-7,12H,8-10H2/t12-/m0/s1
InChIKeyUSBQCDZPTXTAJC-LBPRGKRZSA-N
MW343.38 g/mol
LogP3.45
Rot. Bonds4

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

(4S)-1-[(3-fluorophenyl)methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (PubChem CID 95186482) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is (4S)-1-[(3-fluorophenyl)methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[(3-fluorophenyl)methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
PubChem CID95186482
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name(4S)-1-[(3-fluorophenyl)methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESO=C1C[C@H](c2nc(-c3cccs3)no2)CN1Cc1cccc(F)c1
InChIInChI=1S/C17H14FN3O2S/c18-13-4-1-3-11(7-13)9-21-10-12(8-15(21)22)17-19-16(20-23-17)14-5-2-6-24-14/h1-7,12H,8-10H2/t12-/m0/s1
InChIKeyUSBQCDZPTXTAJC-LBPRGKRZSA-N
XLogP3.45
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 51896263
(4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 51894139
(5S)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluorophenyl)methyl]piperidin-2-one
CID 97143504
(4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41015060
(5S)-1-[(3-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97110556
1-[(3-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72838295
5-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 110235458
5-[(3S)-1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 92568601
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 42094331
(4R)-1-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 93492784
(4R)-4-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97452777
4-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 72910573

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(3-fluorophenyl)methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-[(3-fluorophenyl)methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (CID 95186482) is (4S)-1-[(3-fluorophenyl)methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[(3-fluorophenyl)methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-[(3-fluorophenyl)methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is O=C1C[C@H](c2nc(-c3cccs3)no2)CN1Cc1cccc(F)c1.
What is the InChIKey of (4S)-1-[(3-fluorophenyl)methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The InChIKey is USBQCDZPTXTAJC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c18-13-4-1-3-11(7-13)9-21-10-12(8-15(21)22)17-19-16(20-23-17)14-5-2-6-24-14/h1-7,12H,8-10H2/t12-/m0/s1.
What are the key properties of (4S)-1-[(3-fluorophenyl)methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
(4S)-1-[(3-fluorophenyl)methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one has a molecular weight of 343.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(3-fluorophenyl)methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 95186482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).