[3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone

C16H16N4O2 — CID 42569073

IUPAC[3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nc(Cc2c[nH]c3ccccc23)no1)N1CCCC1
InChIInChI=1S/C16H16N4O2/c21-16(20-7-3-4-8-20)15-18-14(19-22-15)9-11-10-17-13-6-2-1-5-12(11)13/h1-2,5-6,10,17H,3-4,7-9H2
InChIKeyDPHRIQSJFFNSPW-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.38
Rot. Bonds3

About [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone

[3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 42569073) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID42569073
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name[3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nc(Cc2c[nH]c3ccccc23)no1)N1CCCC1
InChIInChI=1S/C16H16N4O2/c21-16(20-7-3-4-8-20)15-18-14(19-22-15)9-11-10-17-13-6-2-1-5-12(11)13/h1-2,5-6,10,17H,3-4,7-9H2
InChIKeyDPHRIQSJFFNSPW-UHFFFAOYSA-N
XLogP2.38
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone (CID 42569073) is [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone is O=C(c1nc(Cc2c[nH]c3ccccc23)no1)N1CCCC1.
What is the InChIKey of [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DPHRIQSJFFNSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-16(20-7-3-4-8-20)15-18-14(19-22-15)9-11-10-17-13-6-2-1-5-12(11)13/h1-2,5-6,10,17H,3-4,7-9H2.
What are the key properties of [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone?
[3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 296.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42569073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).