N-(3-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide

C14H14N4O3 — CID 42570541

IUPACN-(3-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCCO)c1nc(-c2ccc3cc[nH]c3c2)no1
InChIInChI=1S/C14H14N4O3/c19-7-1-5-16-13(20)14-17-12(18-21-14)10-3-2-9-4-6-15-11(9)8-10/h2-4,6,8,15,19H,1,5,7H2,(H,16,20)
InChIKeyGRDYQHYZFVTYOX-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.33
Rot. Bonds5

About N-(3-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide

N-(3-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42570541) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID42570541
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC NameN-(3-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCCO)c1nc(-c2ccc3cc[nH]c3c2)no1
InChIInChI=1S/C14H14N4O3/c19-7-1-5-16-13(20)14-17-12(18-21-14)10-3-2-9-4-6-15-11(9)8-10/h2-4,6,8,15,19H,1,5,7H2,(H,16,20)
InChIKeyGRDYQHYZFVTYOX-UHFFFAOYSA-N
XLogP1.33
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.33
H-Bond Donors ≤ 53
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 N-(3-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide (CID 42570541) is N-(3-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCCCO)c1nc(-c2ccc3cc[nH]c3c2)no1.
What is the InChIKey of N-(3-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is GRDYQHYZFVTYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-7-1-5-16-13(20)14-17-12(18-21-14)10-3-2-9-4-6-15-11(9)8-10/h2-4,6,8,15,19H,1,5,7H2,(H,16,20).
What are the key properties of N-(3-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
N-(3-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42570541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).