[1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanamine

C14H17ClN4O — CID 115312732

IUPAC[1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1Cc1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C14H17ClN4O/c15-12-6-2-1-5-11(12)14-17-13(18-20-14)9-19-7-3-4-10(19)8-16/h1-2,5-6,10H,3-4,7-9,16H2
InChIKeyBXMPVSULRWSXLU-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.31
Rot. Bonds4

About [1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanamine

[1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanamine (PubChem CID 115312732) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is [1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanamine
PubChem CID115312732
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name[1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1Cc1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C14H17ClN4O/c15-12-6-2-1-5-11(12)14-17-13(18-20-14)9-19-7-3-4-10(19)8-16/h1-2,5-6,10H,3-4,7-9,16H2
InChIKeyBXMPVSULRWSXLU-UHFFFAOYSA-N
XLogP2.31
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanamine (CID 115312732) is [1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanamine is NCC1CCCN1Cc1noc(-c2ccccc2Cl)n1.
What is the InChIKey of [1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is BXMPVSULRWSXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c15-12-6-2-1-5-11(12)14-17-13(18-20-14)9-19-7-3-4-10(19)8-16/h1-2,5-6,10H,3-4,7-9,16H2.
What are the key properties of [1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanamine?
[1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 292.77 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115312732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).