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

C18H22N4O2 — CID 77083119

IUPAC1-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]indole-4-carboxamide
SMILESCC(C)Cc1noc(C(C)NC(=O)c2cccc3c2ccn3C)n1
InChIInChI=1S/C18H22N4O2/c1-11(2)10-16-20-18(24-21-16)12(3)19-17(23)14-6-5-7-15-13(14)8-9-22(15)4/h5-9,11-12H,10H2,1-4H3,(H,19,23)
InChIKeyAYCADJQKMYXZRB-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.25
Rot. Bonds5

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

1-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]indole-4-carboxamide (PubChem CID 77083119) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]indole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]indole-4-carboxamide
PubChem CID77083119
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]indole-4-carboxamide
SMILESCC(C)Cc1noc(C(C)NC(=O)c2cccc3c2ccn3C)n1
InChIInChI=1S/C18H22N4O2/c1-11(2)10-16-20-18(24-21-16)12(3)19-17(23)14-6-5-7-15-13(14)8-9-22(15)4/h5-9,11-12H,10H2,1-4H3,(H,19,23)
InChIKeyAYCADJQKMYXZRB-UHFFFAOYSA-N
XLogP3.25
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(1-methylindole-4-carbonyl)amino]pentanoic acid
CID 162868036
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-4-carboxamide
CID 112528637
1-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indole-4-carboxamide
CID 154850554
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylindazole-3-carboxamide
CID 56880963
2-[(1-methylindole-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 163043957
1-methyl-N-(1-methylimidazol-2-yl)indole-4-carboxamide
CID 134712669
N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 74239494
1-[2-(azepan-1-yl)ethyl]-1-methyl-3-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 122570318
1-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-pyridin-3-yloxyphenyl)urea
CID 124755322
1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]indole-4-carboxamide
CID 56823797
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 50957545
N-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-1-methylindole-4-carboxamide
CID 175777904

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]indole-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]indole-4-carboxamide (CID 77083119) is 1-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]indole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]indole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]indole-4-carboxamide is CC(C)Cc1noc(C(C)NC(=O)c2cccc3c2ccn3C)n1.
What is the InChIKey of 1-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]indole-4-carboxamide?
The InChIKey is AYCADJQKMYXZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11(2)10-16-20-18(24-21-16)12(3)19-17(23)14-6-5-7-15-13(14)8-9-22(15)4/h5-9,11-12H,10H2,1-4H3,(H,19,23).
What are the key properties of 1-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]indole-4-carboxamide?
1-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]indole-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]indole-4-carboxamide is sourced from PubChem (CID 77083119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).