3-(1H-indol-4-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

C19H16N4O3 — CID 42571035

IUPAC3-(1H-indol-4-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(-c3cccc4[nH]ccc34)no2)cc1
InChIInChI=1S/C19H16N4O3/c1-25-13-7-5-12(6-8-13)11-21-18(24)19-22-17(23-26-19)15-3-2-4-16-14(15)9-10-20-16/h2-10,20H,11H2,1H3,(H,21,24)
InChIKeyKDWBPXHLNOXMDS-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.16
Rot. Bonds5

About 3-(1H-indol-4-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

3-(1H-indol-4-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42571035) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-(1H-indol-4-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(1H-indol-4-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID42571035
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name3-(1H-indol-4-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(-c3cccc4[nH]ccc34)no2)cc1
InChIInChI=1S/C19H16N4O3/c1-25-13-7-5-12(6-8-13)11-21-18(24)19-22-17(23-26-19)15-3-2-4-16-14(15)9-10-20-16/h2-10,20H,11H2,1H3,(H,21,24)
InChIKeyKDWBPXHLNOXMDS-UHFFFAOYSA-N
XLogP3.16
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42570325
N-[3-(diethylamino)propyl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42534995
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide
CID 51809149
N-[(4-methoxyphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 45369782
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 135653937
N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973291
N-[(4-chlorophenyl)methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42534928
N-[(4-methoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole-2-carboxamide
CID 136538782
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53205292
3-[2-(benzenesulfonyl)ethyl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133731
N-[(3-methoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 22521077
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-4-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(1H-indol-4-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 42571035) is 3-(1H-indol-4-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(1H-indol-4-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(1H-indol-4-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide is COc1ccc(CNC(=O)c2nc(-c3cccc4[nH]ccc34)no2)cc1.
What is the InChIKey of 3-(1H-indol-4-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is KDWBPXHLNOXMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-25-13-7-5-12(6-8-13)11-21-18(24)19-22-17(23-26-19)15-3-2-4-16-14(15)9-10-20-16/h2-10,20H,11H2,1H3,(H,21,24).
What are the key properties of 3-(1H-indol-4-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
3-(1H-indol-4-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 3.16, 5 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-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42571035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).