3-thiophen-3-yl-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole

C15H18N4OS — CID 126790097

IUPAC3-thiophen-3-yl-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1CC(C)c1nc(-c2ccsc2)no1
InChIInChI=1S/C15H18N4OS/c1-9(7-13-10(2)17-19(4)11(13)3)15-16-14(18-20-15)12-5-6-21-8-12/h5-6,8-9H,7H2,1-4H3
InChIKeyXMMYEWNABRDLMM-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.49
Rot. Bonds4

About 3-thiophen-3-yl-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole

3-thiophen-3-yl-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole (PubChem CID 126790097) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-thiophen-3-yl-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-thiophen-3-yl-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole
PubChem CID126790097
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name3-thiophen-3-yl-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1CC(C)c1nc(-c2ccsc2)no1
InChIInChI=1S/C15H18N4OS/c1-9(7-13-10(2)17-19(4)11(13)3)15-16-14(18-20-15)12-5-6-21-8-12/h5-6,8-9H,7H2,1-4H3
InChIKeyXMMYEWNABRDLMM-UHFFFAOYSA-N
XLogP3.49
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862364
2-methyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43627786
(1S)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 95762918
3-amino-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836732
5-[chloro(phenyl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 43627761
1-propyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4,5-trione
CID 8627216
5,6-dimethyl-3-oxo-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyridazine-4-carbonitrile
CID 9309213
(1R)-2-(1H-imidazol-5-yl)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104894573
N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophen-3-amine
CID 167861737
1-thiophen-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105154076
5-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
CID 79542300
5-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 19324613

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-thiophen-3-yl-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole (CID 126790097) is 3-thiophen-3-yl-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-thiophen-3-yl-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-thiophen-3-yl-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole is Cc1nn(C)c(C)c1CC(C)c1nc(-c2ccsc2)no1.
What is the InChIKey of 3-thiophen-3-yl-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole?
The InChIKey is XMMYEWNABRDLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-9(7-13-10(2)17-19(4)11(13)3)15-16-14(18-20-15)12-5-6-21-8-12/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 3-thiophen-3-yl-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole?
3-thiophen-3-yl-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole has a molecular weight of 302.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 126790097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).