4-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-amine

C15H10F3N3O2 — CID 69060257

IUPAC4-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-amine
SMILESNc1onc(-c2cccc(OC(F)(F)F)c2)c1-c1ccncc1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)22-11-3-1-2-10(8-11)13-12(14(19)23-21-13)9-4-6-20-7-5-9/h1-8H,19H2
InChIKeyZAPDNNOHBCIWFH-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.88
Rot. Bonds3

About 4-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-amine

4-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-amine (PubChem CID 69060257) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 4-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-amine
PubChem CID69060257
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name4-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-amine
SMILESNc1onc(-c2cccc(OC(F)(F)F)c2)c1-c1ccncc1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)22-11-3-1-2-10(8-11)13-12(14(19)23-21-13)9-4-6-20-7-5-9/h1-8H,19H2
InChIKeyZAPDNNOHBCIWFH-UHFFFAOYSA-N
XLogP3.88
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 69006280
3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 57417818
3-(3,5-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 107972794
3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 104786026
3-(3-methoxyphenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829950
3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261442
3-[3-(aminomethyl)-4-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 150892773
4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine
CID 80525022
5-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-2-amine
CID 121231645
4-pyridin-4-yl-3-(2,3,4-trifluorophenyl)-1,2-oxazol-5-amine
CID 57417751
3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 55079639

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-amine (CID 69060257) is 4-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-amine is Nc1onc(-c2cccc(OC(F)(F)F)c2)c1-c1ccncc1.
What is the InChIKey of 4-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-amine?
The InChIKey is ZAPDNNOHBCIWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c16-15(17,18)22-11-3-1-2-10(8-11)13-12(14(19)23-21-13)9-4-6-20-7-5-9/h1-8H,19H2.
What are the key properties of 4-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-amine?
4-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-amine has a molecular weight of 321.26 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 69060257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).