4-pyridin-4-yl-3-(2,3,4-trifluorophenyl)-1,2-oxazol-5-amine

C14H8F3N3O — CID 57417751

IUPAC4-pyridin-4-yl-3-(2,3,4-trifluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(F)c(F)c2F)c1-c1ccncc1
InChIInChI=1S/C14H8F3N3O/c15-9-2-1-8(11(16)12(9)17)13-10(14(18)21-20-13)7-3-5-19-6-4-7/h1-6H,18H2
InChIKeyGRXOZWQPLIQSSP-UHFFFAOYSA-N
MW291.23 g/mol
LogP3.40
Rot. Bonds2

About 4-pyridin-4-yl-3-(2,3,4-trifluorophenyl)-1,2-oxazol-5-amine

4-pyridin-4-yl-3-(2,3,4-trifluorophenyl)-1,2-oxazol-5-amine (PubChem CID 57417751) has the molecular formula C14H8F3N3O and a molecular weight of 291.23 g/mol. Its IUPAC name is 4-pyridin-4-yl-3-(2,3,4-trifluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-pyridin-4-yl-3-(2,3,4-trifluorophenyl)-1,2-oxazol-5-amine
PubChem CID57417751
Molecular FormulaC14H8F3N3O
Molecular Weight291.23 g/mol
Exact Mass291.06
IUPAC Name4-pyridin-4-yl-3-(2,3,4-trifluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(F)c(F)c2F)c1-c1ccncc1
InChIInChI=1S/C14H8F3N3O/c15-9-2-1-8(11(16)12(9)17)13-10(14(18)21-20-13)7-3-5-19-6-4-7/h1-6H,18H2
InChIKeyGRXOZWQPLIQSSP-UHFFFAOYSA-N
XLogP3.40
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-chloro-2,5-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 82772621
3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 57417818
3-[3-(aminomethyl)-4-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 150892773
3-(5-fluoro-3-pyridinyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 104786026
3-(2-chloro-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 106861629
3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335730
3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 69006280
4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine
CID 80525022
3-(3,5-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 107972794
4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-amine
CID 43335828
2,6-difluoro-3-pyridin-4-ylaniline
CID 165453925
3-pyrazolo[1,5-a]pyrazin-3-yl-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 103119594

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-3-(2,3,4-trifluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-pyridin-4-yl-3-(2,3,4-trifluorophenyl)-1,2-oxazol-5-amine (CID 57417751) is 4-pyridin-4-yl-3-(2,3,4-trifluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-pyridin-4-yl-3-(2,3,4-trifluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-pyridin-4-yl-3-(2,3,4-trifluorophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccc(F)c(F)c2F)c1-c1ccncc1.
What is the InChIKey of 4-pyridin-4-yl-3-(2,3,4-trifluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is GRXOZWQPLIQSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O/c15-9-2-1-8(11(16)12(9)17)13-10(14(18)21-20-13)7-3-5-19-6-4-7/h1-6H,18H2.
What are the key properties of 4-pyridin-4-yl-3-(2,3,4-trifluorophenyl)-1,2-oxazol-5-amine?
4-pyridin-4-yl-3-(2,3,4-trifluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 291.23 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-3-(2,3,4-trifluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 57417751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).