5-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-2-amine

C10H7F3N2O2 — CID 121231645

IUPAC5-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-2-amine
SMILESNc1ncc(-c2cccc(OC(F)(F)F)c2)o1
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)17-7-3-1-2-6(4-7)8-5-15-9(14)16-8/h1-5H,(H2,14,15)
InChIKeyJSAZBPGJJJHPNV-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.82
Rot. Bonds2

About 5-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-2-amine

5-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-2-amine (PubChem CID 121231645) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 5-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-2-amine
PubChem CID121231645
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name5-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-2-amine
SMILESNc1ncc(-c2cccc(OC(F)(F)F)c2)o1
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)17-7-3-1-2-6(4-7)8-5-15-9(14)16-8/h1-5H,(H2,14,15)
InChIKeyJSAZBPGJJJHPNV-UHFFFAOYSA-N
XLogP2.82
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxylate
CID 156881456
5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 22326853
2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 118828810
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
6-methoxy-5-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086740
5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 107105178
5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 134628617
5-(4-phenylphenyl)-1,3-oxazol-2-amine
CID 82291590
[5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 133086826
propan-2-yl 3-(2-amino-1,3-oxazol-5-yl)benzoate
CID 133063716

Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-2-amine?
The IUPAC name of 5-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-2-amine (CID 121231645) is 5-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-2-amine?
The canonical SMILES for 5-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-2-amine is Nc1ncc(-c2cccc(OC(F)(F)F)c2)o1.
What is the InChIKey of 5-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-2-amine?
The InChIKey is JSAZBPGJJJHPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c11-10(12,13)17-7-3-1-2-6(4-7)8-5-15-9(14)16-8/h1-5H,(H2,14,15).
What are the key properties of 5-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-2-amine?
5-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-2-amine has a molecular weight of 244.17 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 121231645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).