5-[1-[(3-chloro-1H-indol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole

C19H23ClN4O — CID 131892778

IUPAC5-[1-[(3-chloro-1H-indol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(C2CCN(Cc3[nH]c4ccccc4c3Cl)CC2)n1
InChIInChI=1S/C19H23ClN4O/c1-12(2)18-22-19(25-23-18)13-7-9-24(10-8-13)11-16-17(20)14-5-3-4-6-15(14)21-16/h3-6,12-13,21H,7-11H2,1-2H3
InChIKeyMVBROXWFHHFPMU-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.71
Rot. Bonds4

About 5-[1-[(3-chloro-1H-indol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[1-[(3-chloro-1H-indol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 131892778) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 5-[1-[(3-chloro-1H-indol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(3-chloro-1H-indol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID131892778
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name5-[1-[(3-chloro-1H-indol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(C2CCN(Cc3[nH]c4ccccc4c3Cl)CC2)n1
InChIInChI=1S/C19H23ClN4O/c1-12(2)18-22-19(25-23-18)13-7-9-24(10-8-13)11-16-17(20)14-5-3-4-6-15(14)21-16/h3-6,12-13,21H,7-11H2,1-2H3
InChIKeyMVBROXWFHHFPMU-UHFFFAOYSA-N
XLogP4.71
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[1-[(3-chloro-1H-indol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131929981
3-chloro-2-(piperazin-1-ylmethyl)-1H-indole
CID 82511748
5-(4-methylphenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 134706760
5-[1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 134707810
2-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 69433637
3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 91840062
5-[(1-propan-2-ylindol-3-yl)methyl]-9-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one
CID 110200366
1-piperidin-4-yl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol
CID 146042226
3-propan-2-yl-5-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 74243204
(1R,9S)-5-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 172659795
5-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 138809822
5-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 99945566

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-chloro-1H-indol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(3-chloro-1H-indol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 131892778) is 5-[1-[(3-chloro-1H-indol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(3-chloro-1H-indol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(3-chloro-1H-indol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(C2CCN(Cc3[nH]c4ccccc4c3Cl)CC2)n1.
What is the InChIKey of 5-[1-[(3-chloro-1H-indol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is MVBROXWFHHFPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-12(2)18-22-19(25-23-18)13-7-9-24(10-8-13)11-16-17(20)14-5-3-4-6-15(14)21-16/h3-6,12-13,21H,7-11H2,1-2H3.
What are the key properties of 5-[1-[(3-chloro-1H-indol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[1-[(3-chloro-1H-indol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 358.87 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-chloro-1H-indol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 131892778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).