3-(3-methylthiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine

C16H15F3N2OS — CID 141063475

IUPAC3-(3-methylthiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
SMILESCc1ccsc1C1C=C(N)ON1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2OS/c1-10-6-7-23-15(10)13-8-14(20)22-21(13)9-11-2-4-12(5-3-11)16(17,18)19/h2-8,13H,9,20H2,1H3
InChIKeyJVFJMTMPOKGUPG-UHFFFAOYSA-N
MW340.37 g/mol
LogP4.36
Rot. Bonds3

About 3-(3-methylthiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine

3-(3-methylthiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine (PubChem CID 141063475) has the molecular formula C16H15F3N2OS and a molecular weight of 340.37 g/mol. Its IUPAC name is 3-(3-methylthiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-methylthiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
PubChem CID141063475
Molecular FormulaC16H15F3N2OS
Molecular Weight340.37 g/mol
Exact Mass340.09
IUPAC Name3-(3-methylthiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
SMILESCc1ccsc1C1C=C(N)ON1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2OS/c1-10-6-7-23-15(10)13-8-14(20)22-21(13)9-11-2-4-12(5-3-11)16(17,18)19/h2-8,13H,9,20H2,1H3
InChIKeyJVFJMTMPOKGUPG-UHFFFAOYSA-N
XLogP4.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 134791845
3-(5-methylthiophen-2-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063213
2-[(3,4-difluorophenyl)methyl]-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063248
2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063306
3-(5-bromothiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063315
3-(5-bromothiophen-2-yl)-2-[[2-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063327
3-(5-ethylthiophen-2-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063354
3-(5-ethylthiophen-2-yl)-2-[[2-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063375
3-(5-bromothiophen-2-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063399
2-[(3,4-difluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063401
3-(3-methylthiophen-2-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063431
2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063477

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylthiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-methylthiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine (CID 141063475) is 3-(3-methylthiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-methylthiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-methylthiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine is Cc1ccsc1C1C=C(N)ON1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(3-methylthiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine?
The InChIKey is JVFJMTMPOKGUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2OS/c1-10-6-7-23-15(10)13-8-14(20)22-21(13)9-11-2-4-12(5-3-11)16(17,18)19/h2-8,13H,9,20H2,1H3.
What are the key properties of 3-(3-methylthiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine?
3-(3-methylthiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine has a molecular weight of 340.37 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylthiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).