(1-methylpyrazol-4-yl)-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine

C12H13N5OS — CID 115288903

IUPAC(1-methylpyrazol-4-yl)-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCn1cc(C(N)c2nc(Cc3cccs3)no2)cn1
InChIInChI=1S/C12H13N5OS/c1-17-7-8(6-14-17)11(13)12-15-10(16-18-12)5-9-3-2-4-19-9/h2-4,6-7,11H,5,13H2,1H3
InChIKeyBEWZQQIQUOVWTI-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.50
Rot. Bonds4

About (1-methylpyrazol-4-yl)-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine

(1-methylpyrazol-4-yl)-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 115288903) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID115288903
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name(1-methylpyrazol-4-yl)-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCn1cc(C(N)c2nc(Cc3cccs3)no2)cn1
InChIInChI=1S/C12H13N5OS/c1-17-7-8(6-14-17)11(13)12-15-10(16-18-12)5-9-3-2-4-19-9/h2-4,6-7,11H,5,13H2,1H3
InChIKeyBEWZQQIQUOVWTI-UHFFFAOYSA-N
XLogP1.50
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 115288896
[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 115288850
(1R)-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 94458021
[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 115288886
[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 112754191
1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylethanol
CID 62501851
3-methylsulfanyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 55079446
5-(diethoxymethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 55243059
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 116808077
N-methyl-2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63559720
(R)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832490
(S)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832487

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of (1-methylpyrazol-4-yl)-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 115288903) is (1-methylpyrazol-4-yl)-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for (1-methylpyrazol-4-yl)-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine is Cn1cc(C(N)c2nc(Cc3cccs3)no2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is BEWZQQIQUOVWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-17-7-8(6-14-17)11(13)12-15-10(16-18-12)5-9-3-2-4-19-9/h2-4,6-7,11H,5,13H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
(1-methylpyrazol-4-yl)-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 275.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 115288903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).