5-(2-methylpropyl)-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

C16H25N5O — CID 56780502

IUPAC5-(2-methylpropyl)-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cnn(CC2CCCN2Cc2noc(CC(C)C)n2)c1
InChIInChI=1S/C16H25N5O/c1-12(2)7-16-18-15(19-22-16)11-20-6-4-5-14(20)10-21-9-13(3)8-17-21/h8-9,12,14H,4-7,10-11H2,1-3H3
InChIKeyOREBDDDHSVNLKB-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.44
Rot. Bonds6

About 5-(2-methylpropyl)-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

5-(2-methylpropyl)-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 56780502) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID56780502
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name5-(2-methylpropyl)-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cnn(CC2CCCN2Cc2noc(CC(C)C)n2)c1
InChIInChI=1S/C16H25N5O/c1-12(2)7-16-18-15(19-22-16)11-20-6-4-5-14(20)10-21-9-13(3)8-17-21/h8-9,12,14H,4-7,10-11H2,1-3H3
InChIKeyOREBDDDHSVNLKB-UHFFFAOYSA-N
XLogP2.44
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylpropyl)-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 56780502) is 5-(2-methylpropyl)-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylpropyl)-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylpropyl)-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1cnn(CC2CCCN2Cc2noc(CC(C)C)n2)c1.
What is the InChIKey of 5-(2-methylpropyl)-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is OREBDDDHSVNLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-12(2)7-16-18-15(19-22-16)11-20-6-4-5-14(20)10-21-9-13(3)8-17-21/h8-9,12,14H,4-7,10-11H2,1-3H3.
What are the key properties of 5-(2-methylpropyl)-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
5-(2-methylpropyl)-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 303.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56780502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).