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

C20H18N4O3 — CID 110391893

IUPACN-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1cccc(-c2nnc(C(=O)NCCc3c[nH]c4ccccc34)o2)c1
InChIInChI=1S/C20H18N4O3/c1-26-15-6-4-5-13(11-15)19-23-24-20(27-19)18(25)21-10-9-14-12-22-17-8-3-2-7-16(14)17/h2-8,11-12,22H,9-10H2,1H3,(H,21,25)
InChIKeyBHGASJDOBOPIRR-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.20
Rot. Bonds6

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

N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391893) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391893
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1cccc(-c2nnc(C(=O)NCCc3c[nH]c4ccccc34)o2)c1
InChIInChI=1S/C20H18N4O3/c1-26-15-6-4-5-13(11-15)19-23-24-20(27-19)18(25)21-10-9-14-12-22-17-8-3-2-7-16(14)17/h2-8,11-12,22H,9-10H2,1H3,(H,21,25)
InChIKeyBHGASJDOBOPIRR-UHFFFAOYSA-N
XLogP3.20
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
N-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391867
N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948641
N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyanilino)pyridine-2-carboxamide
CID 109215319
N-[2-(1H-indol-3-yl)ethyl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9345766
N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1140768
N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000852
3-(2-amino-2-oxoethoxy)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 35559463
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 23610505
N-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391860
methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619027

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110391893) is N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is COc1cccc(-c2nnc(C(=O)NCCc3c[nH]c4ccccc34)o2)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is BHGASJDOBOPIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-26-15-6-4-5-13(11-15)19-23-24-20(27-19)18(25)21-10-9-14-12-22-17-8-3-2-7-16(14)17/h2-8,11-12,22H,9-10H2,1H3,(H,21,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).