(S)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine

C14H19N5O — CID 104898844

IUPAC(S)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESCN1CCN(c2noc([C@@H](N)c3ccccc3)n2)CC1
InChIInChI=1S/C14H19N5O/c1-18-7-9-19(10-8-18)14-16-13(20-17-14)12(15)11-5-3-2-4-6-11/h2-6,12H,7-10,15H2,1H3/t12-/m0/s1
InChIKeyRGQAZPPCARJSRM-LBPRGKRZSA-N
MW273.34 g/mol
LogP0.87
Rot. Bonds3

About (S)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine

(S)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine (PubChem CID 104898844) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (S)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine.

Molecular Properties

Compound Name(S)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
PubChem CID104898844
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(S)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESCN1CCN(c2noc([C@@H](N)c3ccccc3)n2)CC1
InChIInChI=1S/C14H19N5O/c1-18-7-9-19(10-8-18)14-16-13(20-17-14)12(15)11-5-3-2-4-6-11/h2-6,12H,7-10,15H2,1H3/t12-/m0/s1
InChIKeyRGQAZPPCARJSRM-LBPRGKRZSA-N
XLogP0.87
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898845
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 116807952
2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 116808988
(1S)-3-methyl-1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104904377
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 116808077
(1S)-2-methyl-1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900402
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 116807937
2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109397
(R)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832490
1-phenyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 116808945
(S)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832487
4-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 116807699

Frequently Asked Questions

What is the IUPAC name of (S)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The IUPAC name of (S)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine (CID 104898844) is (S)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine.
What is the SMILES notation for (S)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The canonical SMILES for (S)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine is CN1CCN(c2noc([C@@H](N)c3ccccc3)n2)CC1.
What is the InChIKey of (S)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The InChIKey is RGQAZPPCARJSRM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5O/c1-18-7-9-19(10-8-18)14-16-13(20-17-14)12(15)11-5-3-2-4-6-11/h2-6,12H,7-10,15H2,1H3/t12-/m0/s1.
What are the key properties of (S)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
(S)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine has a molecular weight of 273.34 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine is sourced from PubChem (CID 104898844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).