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

C18H22N4O2 — CID 70781921

IUPACN-ethyl-3,4,7-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide
SMILESCCN(Cc1noc(C)n1)C(=O)c1[nH]c2c(C)ccc(C)c2c1C
InChIInChI=1S/C18H22N4O2/c1-6-22(9-14-19-13(5)24-21-14)18(23)17-12(4)15-10(2)7-8-11(3)16(15)20-17/h7-8,20H,6,9H2,1-5H3
InChIKeyKHJOJZIMLWUVET-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.45
Rot. Bonds4

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

N-ethyl-3,4,7-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 70781921) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-ethyl-3,4,7-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3,4,7-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide
PubChem CID70781921
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-ethyl-3,4,7-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide
SMILESCCN(Cc1noc(C)n1)C(=O)c1[nH]c2c(C)ccc(C)c2c1C
InChIInChI=1S/C18H22N4O2/c1-6-22(9-14-19-13(5)24-21-14)18(23)17-12(4)15-10(2)7-8-11(3)16(15)20-17/h7-8,20H,6,9H2,1-5H3
InChIKeyKHJOJZIMLWUVET-UHFFFAOYSA-N
XLogP3.45
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4,7-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-ethyl-3,4,7-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide (CID 70781921) is N-ethyl-3,4,7-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-ethyl-3,4,7-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-ethyl-3,4,7-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide is CCN(Cc1noc(C)n1)C(=O)c1[nH]c2c(C)ccc(C)c2c1C.
What is the InChIKey of N-ethyl-3,4,7-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is KHJOJZIMLWUVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-6-22(9-14-19-13(5)24-21-14)18(23)17-12(4)15-10(2)7-8-11(3)16(15)20-17/h7-8,20H,6,9H2,1-5H3.
What are the key properties of N-ethyl-3,4,7-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide?
N-ethyl-3,4,7-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4,7-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 70781921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).