(1S)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine

C14H17N5OS — CID 164633224

IUPAC(1S)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESC[C@@H](c1nc(-c2cccs2)no1)N(C)CCn1cccn1
InChIInChI=1S/C14H17N5OS/c1-11(18(2)8-9-19-7-4-6-15-19)14-16-13(17-20-14)12-5-3-10-21-12/h3-7,10-11H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyWXJSKDXWBIMDRP-NSHDSACASA-N
MW303.39 g/mol
LogP2.69
Rot. Bonds6

About (1S)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine

(1S)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 164633224) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is (1S)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID164633224
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name(1S)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESC[C@@H](c1nc(-c2cccs2)no1)N(C)CCn1cccn1
InChIInChI=1S/C14H17N5OS/c1-11(18(2)8-9-19-7-4-6-15-19)14-16-13(17-20-14)12-5-3-10-21-12/h3-7,10-11H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyWXJSKDXWBIMDRP-NSHDSACASA-N
XLogP2.69
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of (1S)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 164633224) is (1S)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for (1S)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is C[C@@H](c1nc(-c2cccs2)no1)N(C)CCn1cccn1.
What is the InChIKey of (1S)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is WXJSKDXWBIMDRP-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N5OS/c1-11(18(2)8-9-19-7-4-6-15-19)14-16-13(17-20-14)12-5-3-10-21-12/h3-7,10-11H,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
(1S)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 303.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 164633224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).