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

C15H16N4O2 — CID 42582058

IUPAC3-(1H-indol-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)NC(=O)c1nc(Cc2c[nH]c3ccccc23)no1
InChIInChI=1S/C15H16N4O2/c1-9(2)17-14(20)15-18-13(19-21-15)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8-9,16H,7H2,1-2H3,(H,17,20)
InChIKeyOPGPDPUFYUVGBH-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.28
Rot. Bonds4

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

3-(1H-indol-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42582058) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-(1H-indol-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(1H-indol-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
PubChem CID42582058
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-(1H-indol-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)NC(=O)c1nc(Cc2c[nH]c3ccccc23)no1
InChIInChI=1S/C15H16N4O2/c1-9(2)17-14(20)15-18-13(19-21-15)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8-9,16H,7H2,1-2H3,(H,17,20)
InChIKeyOPGPDPUFYUVGBH-UHFFFAOYSA-N
XLogP2.28
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-indol-3-ylmethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 42534589
3-(1H-indol-3-ylmethyl)-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42569344
N-[(4-chlorophenyl)methyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42569706
N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 41091001
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 108992856
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
2-(1H-indol-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 43420110
5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790745
N-[(1S)-1-[3-[(5-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutyl]acetamide
CID 126816179
methyl (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoate
CID 10988127
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(1H-indol-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide (CID 42582058) is 3-(1H-indol-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(1H-indol-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(1H-indol-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide is CC(C)NC(=O)c1nc(Cc2c[nH]c3ccccc23)no1.
What is the InChIKey of 3-(1H-indol-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is OPGPDPUFYUVGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9(2)17-14(20)15-18-13(19-21-15)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8-9,16H,7H2,1-2H3,(H,17,20).
What are the key properties of 3-(1H-indol-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?
3-(1H-indol-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42582058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).