(4-fluoro-1H-indol-2-yl)-[(2S)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone

C19H15FN4O2S — CID 92571691

IUPAC(4-fluoro-1H-indol-2-yl)-[(2S)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc2c(F)cccc2[nH]1)N1CCC[C@H]1c1nnc(-c2ccsc2)o1
InChIInChI=1S/C19H15FN4O2S/c20-13-3-1-4-14-12(13)9-15(21-14)19(25)24-7-2-5-16(24)18-23-22-17(26-18)11-6-8-27-10-11/h1,3-4,6,8-10,16,21H,2,5,7H2/t16-/m0/s1
InChIKeyAOTPZPWUSWTHLU-INIZCTEOSA-N
MW382.42 g/mol
LogP4.40
Rot. Bonds3

About (4-fluoro-1H-indol-2-yl)-[(2S)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone

(4-fluoro-1H-indol-2-yl)-[(2S)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 92571691) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is (4-fluoro-1H-indol-2-yl)-[(2S)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-1H-indol-2-yl)-[(2S)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID92571691
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC Name(4-fluoro-1H-indol-2-yl)-[(2S)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc2c(F)cccc2[nH]1)N1CCC[C@H]1c1nnc(-c2ccsc2)o1
InChIInChI=1S/C19H15FN4O2S/c20-13-3-1-4-14-12(13)9-15(21-14)19(25)24-7-2-5-16(24)18-23-22-17(26-18)11-6-8-27-10-11/h1,3-4,6,8-10,16,21H,2,5,7H2/t16-/m0/s1
InChIKeyAOTPZPWUSWTHLU-INIZCTEOSA-N
XLogP4.40
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluoro-1H-indol-2-yl)-[(2R)-2-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 92576736
(2,6-difluorophenyl)-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 10316214
1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 92586495
3-(3-fluorophenoxy)-1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 92568899
(2-chloro-6-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114608
[(2R)-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 125023784
(3-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114597
3-[2-oxo-2-[2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
CID 110217553
(4-fluoro-1H-indol-2-yl)-[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 92563253
[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(4-fluoro-1H-indol-2-yl)methanone
CID 95580375
2-(4-tert-butylphenoxy)-1-[(2R)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 92552698
4-fluoro-N-[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide
CID 98065178

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1H-indol-2-yl)-[(2S)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-fluoro-1H-indol-2-yl)-[(2S)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone (CID 92571691) is (4-fluoro-1H-indol-2-yl)-[(2S)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-fluoro-1H-indol-2-yl)-[(2S)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-fluoro-1H-indol-2-yl)-[(2S)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone is O=C(c1cc2c(F)cccc2[nH]1)N1CCC[C@H]1c1nnc(-c2ccsc2)o1.
What is the InChIKey of (4-fluoro-1H-indol-2-yl)-[(2S)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is AOTPZPWUSWTHLU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c20-13-3-1-4-14-12(13)9-15(21-14)19(25)24-7-2-5-16(24)18-23-22-17(26-18)11-6-8-27-10-11/h1,3-4,6,8-10,16,21H,2,5,7H2/t16-/m0/s1.
What are the key properties of (4-fluoro-1H-indol-2-yl)-[(2S)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
(4-fluoro-1H-indol-2-yl)-[(2S)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 382.42 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1H-indol-2-yl)-[(2S)-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92571691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).