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

C20H18N4O2 — CID 42569344

IUPAC3-(1H-indol-3-ylmethyl)-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1nc(Cc2c[nH]c3ccccc23)no1
InChIInChI=1S/C20H18N4O2/c25-19(21-11-10-14-6-2-1-3-7-14)20-23-18(24-26-20)12-15-13-22-17-9-5-4-8-16(15)17/h1-9,13,22H,10-12H2,(H,21,25)
InChIKeyCOQLGUVFEORJCJ-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.11
Rot. Bonds6

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

3-(1H-indol-3-ylmethyl)-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42569344) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-(1H-indol-3-ylmethyl)-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(1H-indol-3-ylmethyl)-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID42569344
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name3-(1H-indol-3-ylmethyl)-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1nc(Cc2c[nH]c3ccccc23)no1
InChIInChI=1S/C20H18N4O2/c25-19(21-11-10-14-6-2-1-3-7-14)20-23-18(24-26-20)12-15-13-22-17-9-5-4-8-16(15)17/h1-9,13,22H,10-12H2,(H,21,25)
InChIKeyCOQLGUVFEORJCJ-UHFFFAOYSA-N
XLogP3.11
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42569706
3-(1H-indol-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42582058
3-(1H-indol-3-ylmethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 42534589
N-[2-(1H-indol-3-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581080
N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574118
3-[2-(benzylamino)-2-oxoethyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide
CID 45491121
4-[2-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]benzoic acid
CID 71900120
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 9453799
N-[2-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 7097288
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137338

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-ylmethyl)-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(1H-indol-3-ylmethyl)-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide (CID 42569344) is 3-(1H-indol-3-ylmethyl)-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(1H-indol-3-ylmethyl)-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(1H-indol-3-ylmethyl)-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCCc1ccccc1)c1nc(Cc2c[nH]c3ccccc23)no1.
What is the InChIKey of 3-(1H-indol-3-ylmethyl)-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is COQLGUVFEORJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-19(21-11-10-14-6-2-1-3-7-14)20-23-18(24-26-20)12-15-13-22-17-9-5-4-8-16(15)17/h1-9,13,22H,10-12H2,(H,21,25).
What are the key properties of 3-(1H-indol-3-ylmethyl)-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide?
3-(1H-indol-3-ylmethyl)-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.11, 6 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-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42569344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).