N-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide

C18H20N4O2 — CID 42570665

IUPACN-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CCCCCC1)c1nc(-c2ccc3cc[nH]c3c2)no1
InChIInChI=1S/C18H20N4O2/c23-17(20-14-5-3-1-2-4-6-14)18-21-16(22-24-18)13-8-7-12-9-10-19-15(12)11-13/h7-11,14,19H,1-6H2,(H,20,23)
InChIKeyXKFJNWUJYLZSIZ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.67
Rot. Bonds3

About N-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide

N-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42570665) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID42570665
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CCCCCC1)c1nc(-c2ccc3cc[nH]c3c2)no1
InChIInChI=1S/C18H20N4O2/c23-17(20-14-5-3-1-2-4-6-14)18-21-16(22-24-18)13-8-7-12-9-10-19-15(12)11-13/h7-11,14,19H,1-6H2,(H,20,23)
InChIKeyXKFJNWUJYLZSIZ-UHFFFAOYSA-N
XLogP3.67
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 6471248
3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42568930
N-cyclohexyl-1H-indole-6-carboxamide
CID 39706974
3-[2-(azepan-1-yl)-4-pyridinyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide
CID 53175294
N-cycloheptyl-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175164
N-(2-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 45369668
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42582555
N-[(4-chlorophenyl)methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42534928
N-(1-hydroxy-3-phenylpropan-2-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 45370003
N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827804
N-cyclopentyl-3-(1H-indol-3-yl)-1,2,4-oxadiazole-5-carboxamide
CID 135636045
[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone
CID 42568916

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide (CID 42570665) is N-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide is O=C(NC1CCCCCC1)c1nc(-c2ccc3cc[nH]c3c2)no1.
What is the InChIKey of N-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is XKFJNWUJYLZSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-17(20-14-5-3-1-2-4-6-14)18-21-16(22-24-18)13-8-7-12-9-10-19-15(12)11-13/h7-11,14,19H,1-6H2,(H,20,23).
What are the key properties of N-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
N-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42570665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).