3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide

C15H16N4O3 — CID 42571591

IUPAC3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCCNC(=O)c1nc(-c2cccc3[nH]ccc23)no1
InChIInChI=1S/C15H16N4O3/c1-21-9-3-7-17-14(20)15-18-13(19-22-15)11-4-2-5-12-10(11)6-8-16-12/h2,4-6,8,16H,3,7,9H2,1H3,(H,17,20)
InChIKeyBPSPJIVDNLKGAJ-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.98
Rot. Bonds6

About 3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide

3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42571591) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID42571591
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCCNC(=O)c1nc(-c2cccc3[nH]ccc23)no1
InChIInChI=1S/C15H16N4O3/c1-21-9-3-7-17-14(20)15-18-13(19-22-15)11-4-2-5-12-10(11)6-8-16-12/h2,4-6,8,16H,3,7,9H2,1H3,(H,17,20)
InChIKeyBPSPJIVDNLKGAJ-UHFFFAOYSA-N
XLogP1.98
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide (CID 42571591) is 3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide is COCCCNC(=O)c1nc(-c2cccc3[nH]ccc23)no1.
What is the InChIKey of 3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is BPSPJIVDNLKGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-21-9-3-7-17-14(20)15-18-13(19-22-15)11-4-2-5-12-10(11)6-8-16-12/h2,4-6,8,16H,3,7,9H2,1H3,(H,17,20).
What are the key properties of 3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide?
3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42571591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).