N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-4-yl)piperazine-1-carboxamide

C21H28N6O2 — CID 126836135

IUPACN-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-4-yl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2cccc3[nH]ccc23)CC1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C21H28N6O2/c1-14(18-24-19(25-29-18)21(2,3)4)23-20(28)27-12-10-26(11-13-27)17-7-5-6-16-15(17)8-9-22-16/h5-9,14,22H,10-13H2,1-4H3,(H,23,28)
InChIKeyYTZCJZRYYHLVFO-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.44
Rot. Bonds3

About N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-4-yl)piperazine-1-carboxamide

N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-4-yl)piperazine-1-carboxamide (PubChem CID 126836135) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-4-yl)piperazine-1-carboxamide
PubChem CID126836135
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC NameN-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-4-yl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2cccc3[nH]ccc23)CC1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C21H28N6O2/c1-14(18-24-19(25-29-18)21(2,3)4)23-20(28)27-12-10-26(11-13-27)17-7-5-6-16-15(17)8-9-22-16/h5-9,14,22H,10-13H2,1-4H3,(H,23,28)
InChIKeyYTZCJZRYYHLVFO-UHFFFAOYSA-N
XLogP3.44
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trichloro-1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone
CID 126740582
1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one
CID 139990891
(3S,4S)-1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122004427
N-(3,4-dichlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide
CID 2802663
4-(1H-indol-4-yl)-N-[2-(1-methyltetrazol-5-yl)ethyl]piperazine-1-carboxamide
CID 154765240
[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 46568147
N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(cyclobutanecarbonylamino)azetidine-1-carboxamide
CID 124620918
(2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride
CID 119342865
3-tert-butyl-5-[(1S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 37201829
cis-(1R,2S)-2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119041
cis-(1S,2R)-2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119043
1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 111509151

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-4-yl)piperazine-1-carboxamide (CID 126836135) is N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-4-yl)piperazine-1-carboxamide is CC(NC(=O)N1CCN(c2cccc3[nH]ccc23)CC1)c1nc(C(C)(C)C)no1.
What is the InChIKey of N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-4-yl)piperazine-1-carboxamide?
The InChIKey is YTZCJZRYYHLVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-14(18-24-19(25-29-18)21(2,3)4)23-20(28)27-12-10-26(11-13-27)17-7-5-6-16-15(17)8-9-22-16/h5-9,14,22H,10-13H2,1-4H3,(H,23,28).
What are the key properties of N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-4-yl)piperazine-1-carboxamide?
N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-4-yl)piperazine-1-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1H-indol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 126836135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).