5-[1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole

C14H21N7O — CID 124623612

IUPAC5-[1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCN([C@H](C)c3nnnn3C3CC3)CC2)n1
InChIInChI=1S/C14H21N7O/c1-9(13-16-18-19-21(13)12-3-4-12)20-7-5-11(6-8-20)14-15-10(2)17-22-14/h9,11-12H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyFZDBJGLAOHTQEX-SECBINFHSA-N
MW303.37 g/mol
LogP1.64
Rot. Bonds4

About 5-[1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole

5-[1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 124623612) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-[1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID124623612
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name5-[1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCN([C@H](C)c3nnnn3C3CC3)CC2)n1
InChIInChI=1S/C14H21N7O/c1-9(13-16-18-19-21(13)12-3-4-12)20-7-5-11(6-8-20)14-15-10(2)17-22-14/h9,11-12H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyFZDBJGLAOHTQEX-SECBINFHSA-N
XLogP1.64
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]piperidin-1-yl]ethanol
CID 123323943
5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 87023145
1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine
CID 124623738
3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 21476662
5-[1-[1-(4-chloro-3-fluorophenyl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 75510924
N-[1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-2-methylfuran-3-carboxamide
CID 124623652
(2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-phenylacetamide
CID 94571895
3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92845934
methyl 1-[1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]triazole-4-carboxylate
CID 124623849
3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133291332
1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 124623662
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119744960

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole (CID 124623612) is 5-[1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCN([C@H](C)c3nnnn3C3CC3)CC2)n1.
What is the InChIKey of 5-[1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is FZDBJGLAOHTQEX-SECBINFHSA-N. The full InChI is InChI=1S/C14H21N7O/c1-9(13-16-18-19-21(13)12-3-4-12)20-7-5-11(6-8-20)14-15-10(2)17-22-14/h9,11-12H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of 5-[1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
5-[1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 303.37 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 124623612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).