4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine

C11H17N5OS — CID 65133960

IUPAC4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2nc(CSC(C)(C)C)no2)c1N
InChIInChI=1S/C11H17N5OS/c1-11(2,3)18-6-8-14-10(17-15-8)7-5-13-16(4)9(7)12/h5H,6,12H2,1-4H3
InChIKeyFSEWQQZJQKXZHT-UHFFFAOYSA-N
MW267.36 g/mol
LogP2.08
Rot. Bonds3

About 4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine

4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine (PubChem CID 65133960) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
PubChem CID65133960
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2nc(CSC(C)(C)C)no2)c1N
InChIInChI=1S/C11H17N5OS/c1-11(2,3)18-6-8-14-10(17-15-8)7-5-13-16(4)9(7)12/h5H,6,12H2,1-4H3
InChIKeyFSEWQQZJQKXZHT-UHFFFAOYSA-N
XLogP2.08
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 65130936
1-methyl-4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
CID 65138161
1-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
CID 65130218
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 113291073
3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylaniline
CID 65133341
4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795460
2-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 65133911
2-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-chloroaniline
CID 65133912
5-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 65133456
3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 65133735
4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904121
2-[2-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65133289

Frequently Asked Questions

What is the IUPAC name of 4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine (CID 65133960) is 4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine is Cn1ncc(-c2nc(CSC(C)(C)C)no2)c1N.
What is the InChIKey of 4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine?
The InChIKey is FSEWQQZJQKXZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-11(2,3)18-6-8-14-10(17-15-8)7-5-13-16(4)9(7)12/h5H,6,12H2,1-4H3.
What are the key properties of 4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine?
4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine has a molecular weight of 267.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 65133960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).