(1-methylindol-4-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

C22H20N4O2 — CID 97199775

IUPAC(1-methylindol-4-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCn1ccc2c(C(=O)N3CCC[C@H]3c3nc(-c4ccccc4)no3)cccc21
InChIInChI=1S/C22H20N4O2/c1-25-14-12-16-17(9-5-10-18(16)25)22(27)26-13-6-11-19(26)21-23-20(24-28-21)15-7-3-2-4-8-15/h2-5,7-10,12,14,19H,6,11,13H2,1H3/t19-/m0/s1
InChIKeyFTJFHAPQNLLEOF-IBGZPJMESA-N
MW372.43 g/mol
LogP4.21
Rot. Bonds3

About (1-methylindol-4-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

(1-methylindol-4-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 97199775) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is (1-methylindol-4-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylindol-4-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID97199775
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name(1-methylindol-4-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCn1ccc2c(C(=O)N3CCC[C@H]3c3nc(-c4ccccc4)no3)cccc21
InChIInChI=1S/C22H20N4O2/c1-25-14-12-16-17(9-5-10-18(16)25)22(27)26-13-6-11-19(26)21-23-20(24-28-21)15-7-3-2-4-8-15/h2-5,7-10,12,14,19H,6,11,13H2,1H3/t19-/m0/s1
InChIKeyFTJFHAPQNLLEOF-IBGZPJMESA-N
XLogP4.21
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylindol-4-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-methylindol-4-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 97199775) is (1-methylindol-4-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-methylindol-4-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-methylindol-4-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is Cn1ccc2c(C(=O)N3CCC[C@H]3c3nc(-c4ccccc4)no3)cccc21.
What is the InChIKey of (1-methylindol-4-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is FTJFHAPQNLLEOF-IBGZPJMESA-N. The full InChI is InChI=1S/C22H20N4O2/c1-25-14-12-16-17(9-5-10-18(16)25)22(27)26-13-6-11-19(26)21-23-20(24-28-21)15-7-3-2-4-8-15/h2-5,7-10,12,14,19H,6,11,13H2,1H3/t19-/m0/s1.
What are the key properties of (1-methylindol-4-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
(1-methylindol-4-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 372.43 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-4-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97199775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).