3,5,7-trimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide

C22H22N4O2 — CID 16677139

IUPAC3,5,7-trimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide
SMILESCc1cc(C)c2[nH]c(C(=O)NCCc3nc(-c4ccccc4)no3)c(C)c2c1
InChIInChI=1S/C22H22N4O2/c1-13-11-14(2)19-17(12-13)15(3)20(25-19)22(27)23-10-9-18-24-21(26-28-18)16-7-5-4-6-8-16/h4-8,11-12,25H,9-10H2,1-3H3,(H,23,27)
InChIKeyLVOQWSITCLTDDE-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.12
Rot. Bonds5

About 3,5,7-trimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide

3,5,7-trimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 16677139) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3,5,7-trimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,5,7-trimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID16677139
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3,5,7-trimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide
SMILESCc1cc(C)c2[nH]c(C(=O)NCCc3nc(-c4ccccc4)no3)c(C)c2c1
InChIInChI=1S/C22H22N4O2/c1-13-11-14(2)19-17(12-13)15(3)20(25-19)22(27)23-10-9-18-24-21(26-28-18)16-7-5-4-6-8-16/h4-8,11-12,25H,9-10H2,1-3H3,(H,23,27)
InChIKeyLVOQWSITCLTDDE-UHFFFAOYSA-N
XLogP4.12
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5,7-dimethyl-4-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]chromene-2-carboxamide
CID 39835135
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323289
2-(2,5-dimethylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50875120
5-bromo-3-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 39835126
4-methyl-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323732
2,4-dichloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 110323319
2-(2-methylphenoxy)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 39835008
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 110323634
4-tert-butyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 46300146
2,3,4-trifluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 110323311
2-(3,5-dimethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 1251850
3,4-difluoro-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323773

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 3,5,7-trimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide (CID 16677139) is 3,5,7-trimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3,5,7-trimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3,5,7-trimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide is Cc1cc(C)c2[nH]c(C(=O)NCCc3nc(-c4ccccc4)no3)c(C)c2c1.
What is the InChIKey of 3,5,7-trimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is LVOQWSITCLTDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-13-11-14(2)19-17(12-13)15(3)20(25-19)22(27)23-10-9-18-24-21(26-28-18)16-7-5-4-6-8-16/h4-8,11-12,25H,9-10H2,1-3H3,(H,23,27).
What are the key properties of 3,5,7-trimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide?
3,5,7-trimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 16677139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).