cyclopropyl-[3-[3-(1H-indazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C19H21N5O2 — CID 138992195

IUPACcyclopropyl-[3-[3-(1H-indazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC(c2nc(Cc3ccc4[nH]ncc4c3)no2)C1
InChIInChI=1S/C19H21N5O2/c25-19(13-4-5-13)24-7-1-2-14(11-24)18-21-17(23-26-18)9-12-3-6-16-15(8-12)10-20-22-16/h3,6,8,10,13-14H,1-2,4-5,7,9,11H2,(H,20,22)
InChIKeyZAEICNCEYSXUNK-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.65
Rot. Bonds4

About cyclopropyl-[3-[3-(1H-indazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

cyclopropyl-[3-[3-(1H-indazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 138992195) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is cyclopropyl-[3-[3-(1H-indazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[3-(1H-indazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID138992195
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Namecyclopropyl-[3-[3-(1H-indazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC(c2nc(Cc3ccc4[nH]ncc4c3)no2)C1
InChIInChI=1S/C19H21N5O2/c25-19(13-4-5-13)24-7-1-2-14(11-24)18-21-17(23-26-18)9-12-3-6-16-15(8-12)10-20-22-16/h3,6,8,10,13-14H,1-2,4-5,7,9,11H2,(H,20,22)
InChIKeyZAEICNCEYSXUNK-UHFFFAOYSA-N
XLogP2.65
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[3-[3-(1H-indazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

5-cyclobutyl-3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazole
CID 155951249
1-[(3R)-3-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 100688666
[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
CID 3294167
[2-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 166202227
[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
CID 7216459
1-(3-ethylphenyl)-4-[3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 166233781
cyclopropyl-[3-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 127868766
cyclopropyl-[(3S)-3-[3-[(1S)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 124737955
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 68924485
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 124971670
[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-cyclopropylmethanone
CID 99727776
(3-hydroxypiperidin-1-yl)-(1H-indazol-5-yl)methanone
CID 43502692

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[3-(1H-indazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[3-(1H-indazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 138992195) is cyclopropyl-[3-[3-(1H-indazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[3-(1H-indazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[3-(1H-indazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCCC(c2nc(Cc3ccc4[nH]ncc4c3)no2)C1.
What is the InChIKey of cyclopropyl-[3-[3-(1H-indazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is ZAEICNCEYSXUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-19(13-4-5-13)24-7-1-2-14(11-24)18-21-17(23-26-18)9-12-3-6-16-15(8-12)10-20-22-16/h3,6,8,10,13-14H,1-2,4-5,7,9,11H2,(H,20,22).
What are the key properties of cyclopropyl-[3-[3-(1H-indazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
cyclopropyl-[3-[3-(1H-indazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[3-(1H-indazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 138992195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).