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

C15H12BrF3N2OS — CID 141063315

IUPAC3-(5-bromothiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
SMILESNC1=CC(c2ccc(Br)s2)N(Cc2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C15H12BrF3N2OS/c16-13-6-5-12(23-13)11-7-14(20)22-21(11)8-9-1-3-10(4-2-9)15(17,18)19/h1-7,11H,8,20H2
InChIKeyGUEVKAFKEGAQOF-UHFFFAOYSA-N
MW405.24 g/mol
LogP4.82
Rot. Bonds3

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

3-(5-bromothiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine (PubChem CID 141063315) has the molecular formula C15H12BrF3N2OS and a molecular weight of 405.24 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
PubChem CID141063315
Molecular FormulaC15H12BrF3N2OS
Molecular Weight405.24 g/mol
Exact Mass403.98
IUPAC Name3-(5-bromothiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
SMILESNC1=CC(c2ccc(Br)s2)N(Cc2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C15H12BrF3N2OS/c16-13-6-5-12(23-13)11-7-14(20)22-21(11)8-9-1-3-10(4-2-9)15(17,18)19/h1-7,11H,8,20H2
InChIKeyGUEVKAFKEGAQOF-UHFFFAOYSA-N
XLogP4.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.24
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[[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
3-(3-methylthiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063475
2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063477
2-[(3,4-difluorophenyl)methyl]-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063496

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine (CID 141063315) is 3-(5-bromothiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine is NC1=CC(c2ccc(Br)s2)N(Cc2ccc(C(F)(F)F)cc2)O1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine?
The InChIKey is GUEVKAFKEGAQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3N2OS/c16-13-6-5-12(23-13)11-7-14(20)22-21(11)8-9-1-3-10(4-2-9)15(17,18)19/h1-7,11H,8,20H2.
What are the key properties of 3-(5-bromothiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine?
3-(5-bromothiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine has a molecular weight of 405.24 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).