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

C14H10FN3O — CID 58659496

IUPAC3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C14H10FN3O/c15-11-3-1-10(2-4-11)13-12(14(16)19-18-13)9-5-7-17-8-6-9/h1-8H,16H2
InChIKeyZWIRUUBLMWVMKS-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.12
Rot. Bonds2

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

3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine (PubChem CID 58659496) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
PubChem CID58659496
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C14H10FN3O/c15-11-3-1-10(2-4-11)13-12(14(16)19-18-13)9-5-7-17-8-6-9/h1-8H,16H2
InChIKeyZWIRUUBLMWVMKS-UHFFFAOYSA-N
XLogP3.12
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine (CID 58659496) is 3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine is Nc1onc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The InChIKey is ZWIRUUBLMWVMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-11-3-1-10(2-4-11)13-12(14(16)19-18-13)9-5-7-17-8-6-9/h1-8H,16H2.
What are the key properties of 3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine has a molecular weight of 255.25 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 58659496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).