N-cyclopentyl-3-(1H-indol-3-yl)-1,2,4-oxadiazole-5-carboxamide

C16H16N4O2 — CID 135636045

IUPACN-cyclopentyl-3-(1H-indol-3-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CCCC1)c1nc(-c2c[nH]c3ccccc23)no1
InChIInChI=1S/C16H16N4O2/c21-15(18-10-5-1-2-6-10)16-19-14(20-22-16)12-9-17-13-8-4-3-7-11(12)13/h3-4,7-10,17H,1-2,5-6H2,(H,18,21)
InChIKeyKSHHJTLONTYMEC-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.89
Rot. Bonds3

About N-cyclopentyl-3-(1H-indol-3-yl)-1,2,4-oxadiazole-5-carboxamide

N-cyclopentyl-3-(1H-indol-3-yl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 135636045) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-cyclopentyl-3-(1H-indol-3-yl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(1H-indol-3-yl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID135636045
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-cyclopentyl-3-(1H-indol-3-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CCCC1)c1nc(-c2c[nH]c3ccccc23)no1
InChIInChI=1S/C16H16N4O2/c21-15(18-10-5-1-2-6-10)16-19-14(20-22-16)12-9-17-13-8-4-3-7-11(12)13/h3-4,7-10,17H,1-2,5-6H2,(H,18,21)
InChIKeyKSHHJTLONTYMEC-UHFFFAOYSA-N
XLogP2.89
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 135653937
N-cyclopentyl-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide
CID 20931695
N-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42570665
N-cycloheptyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 6471248
N-cyclopentyl-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 45370232
N-cyclopentyl-3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
CID 20931773
N-[2-(1H-indol-3-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581080
N-(2-hydroxyethyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42570325
3-(4-amino-6-benzyl-1,3,5-triazin-2-yl)-N-cyclobutyl-1,2,4-oxadiazole-5-carboxamide
CID 148808810
N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 108942165
N-cyclopentyl-2-oxo-1H-quinazoline-4-carboxamide
CID 110702489
N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827804

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(1H-indol-3-yl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-3-(1H-indol-3-yl)-1,2,4-oxadiazole-5-carboxamide (CID 135636045) is N-cyclopentyl-3-(1H-indol-3-yl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-(1H-indol-3-yl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-3-(1H-indol-3-yl)-1,2,4-oxadiazole-5-carboxamide is O=C(NC1CCCC1)c1nc(-c2c[nH]c3ccccc23)no1.
What is the InChIKey of N-cyclopentyl-3-(1H-indol-3-yl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is KSHHJTLONTYMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-15(18-10-5-1-2-6-10)16-19-14(20-22-16)12-9-17-13-8-4-3-7-11(12)13/h3-4,7-10,17H,1-2,5-6H2,(H,18,21).
What are the key properties of N-cyclopentyl-3-(1H-indol-3-yl)-1,2,4-oxadiazole-5-carboxamide?
N-cyclopentyl-3-(1H-indol-3-yl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(1H-indol-3-yl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 135636045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).