3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine

C14H12FN3OS — CID 63616700

IUPAC3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
SMILESCc1cc(-c2nc(-c3cc(F)ccc3C)no2)c(N)s1
InChIInChI=1S/C14H12FN3OS/c1-7-3-4-9(15)6-10(7)13-17-14(19-18-13)11-5-8(2)20-12(11)16/h3-6H,16H2,1-2H3
InChIKeyKHGLBANYNYBLTP-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.80
Rot. Bonds2

About 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine

3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine (PubChem CID 63616700) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine.

Molecular Properties

Compound Name3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
PubChem CID63616700
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
SMILESCc1cc(-c2nc(-c3cc(F)ccc3C)no2)c(N)s1
InChIInChI=1S/C14H12FN3OS/c1-7-3-4-9(15)6-10(7)13-17-14(19-18-13)11-5-8(2)20-12(11)16/h3-6H,16H2,1-2H3
InChIKeyKHGLBANYNYBLTP-UHFFFAOYSA-N
XLogP3.80
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62388062
5-chloro-2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62388389
2-fluoro-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63187710
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 81261221
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
CID 63617032
3-fluoro-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827642
2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 62387567
3-(6-fluoro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine
CID 63675433
1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62387398
1-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66373664
2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 107501948
3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845762

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine?
The IUPAC name of 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine (CID 63616700) is 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine.
What is the SMILES notation for 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine?
The canonical SMILES for 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine is Cc1cc(-c2nc(-c3cc(F)ccc3C)no2)c(N)s1.
What is the InChIKey of 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine?
The InChIKey is KHGLBANYNYBLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-7-3-4-9(15)6-10(7)13-17-14(19-18-13)11-5-8(2)20-12(11)16/h3-6H,16H2,1-2H3.
What are the key properties of 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine?
3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine has a molecular weight of 289.34 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine is sourced from PubChem (CID 63616700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).