N-[2-(1H-indol-3-yl)ethyl]-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide

C21H19N5O3 — CID 51043915

IUPACN-[2-(1H-indol-3-yl)ethyl]-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide
SMILESCc1nnc(-c2ccc(NC(=O)C(=O)NCCc3c[nH]c4ccccc34)cc2)o1
InChIInChI=1S/C21H19N5O3/c1-13-25-26-21(29-13)14-6-8-16(9-7-14)24-20(28)19(27)22-11-10-15-12-23-18-5-3-2-4-17(15)18/h2-9,12,23H,10-11H2,1H3,(H,22,27)(H,24,28)
InChIKeyPIHGNXPZGMZWFR-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.82
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide

N-[2-(1H-indol-3-yl)ethyl]-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide (PubChem CID 51043915) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide
PubChem CID51043915
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide
SMILESCc1nnc(-c2ccc(NC(=O)C(=O)NCCc3c[nH]c4ccccc34)cc2)o1
InChIInChI=1S/C21H19N5O3/c1-13-25-26-21(29-13)14-6-8-16(9-7-14)24-20(28)19(27)22-11-10-15-12-23-18-5-3-2-4-17(15)18/h2-9,12,23H,10-11H2,1H3,(H,22,27)(H,24,28)
InChIKeyPIHGNXPZGMZWFR-UHFFFAOYSA-N
XLogP2.82
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(dimethylamino)phenyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 7585548
N-[2-(1H-indol-3-yl)ethyl]-N'-(4-propan-2-yloxyphenyl)oxamide
CID 108985760
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110334003
N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108511537
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-phenylacetamide
CID 110725539
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26710938
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
1-N-[2-(1H-indol-3-yl)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108978264
N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 7657010
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)-1,3,4-oxadiazole-2-carboxamide
CID 110391893

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide (CID 51043915) is N-[2-(1H-indol-3-yl)ethyl]-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide is Cc1nnc(-c2ccc(NC(=O)C(=O)NCCc3c[nH]c4ccccc34)cc2)o1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide?
The InChIKey is PIHGNXPZGMZWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-13-25-26-21(29-13)14-6-8-16(9-7-14)24-20(28)19(27)22-11-10-15-12-23-18-5-3-2-4-17(15)18/h2-9,12,23H,10-11H2,1H3,(H,22,27)(H,24,28).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide?
N-[2-(1H-indol-3-yl)ethyl]-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide has a molecular weight of 389.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide is sourced from PubChem (CID 51043915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).