3-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine

C14H13N3OS — CID 63618214

IUPAC3-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine
SMILESCc1cc(-c2nc(Cc3ccccc3)no2)c(N)s1
InChIInChI=1S/C14H13N3OS/c1-9-7-11(13(15)19-9)14-16-12(17-18-14)8-10-5-3-2-4-6-10/h2-7H,8,15H2,1H3
InChIKeyKNSSKOQPUYSJGM-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.28
Rot. Bonds3

About 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine

3-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine (PubChem CID 63618214) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine.

Molecular Properties

Compound Name3-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine
PubChem CID63618214
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name3-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine
SMILESCc1cc(-c2nc(Cc3ccccc3)no2)c(N)s1
InChIInChI=1S/C14H13N3OS/c1-9-7-11(13(15)19-9)14-16-12(17-18-14)8-10-5-3-2-4-6-10/h2-7H,8,15H2,1H3
InChIKeyKNSSKOQPUYSJGM-UHFFFAOYSA-N
XLogP3.28
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63618217
3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
CID 63617374
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
CID 63618388
5-methyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63617375
2-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-bromoaniline
CID 62073830
2-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxyaniline
CID 115411738
3-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-ethylthiophen-2-amine
CID 63614342
5-methyl-3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 103472509
4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 62808217
4-methyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62553436
2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 43152214
3-chloro-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 62330603

Frequently Asked Questions

What is the IUPAC name of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine?
The IUPAC name of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine (CID 63618214) is 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine.
What is the SMILES notation for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine?
The canonical SMILES for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine is Cc1cc(-c2nc(Cc3ccccc3)no2)c(N)s1.
What is the InChIKey of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine?
The InChIKey is KNSSKOQPUYSJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-7-11(13(15)19-9)14-16-12(17-18-14)8-10-5-3-2-4-6-10/h2-7H,8,15H2,1H3.
What are the key properties of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine?
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine has a molecular weight of 271.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine is sourced from PubChem (CID 63618214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).