[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

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

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Related Compounds

1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpiperidin-4-amine
CID 115312991
1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol
CID 106672141
3-[[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 47529696
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060
5-(2-chlorophenyl)-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 104975780
[3-[[2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751189
[(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 29080623
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole
CID 869984
1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanamine
CID 63255849
1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one
CID 71794585
[(2S)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanol
CID 79028528

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).