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

C14H8ClF2N3O — CID 82772619

IUPAC3-(4-chloro-2,5-difluorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(F)c(Cl)cc2F)c1-c1ccccn1
InChIInChI=1S/C14H8ClF2N3O/c15-8-6-9(16)7(5-10(8)17)13-12(14(18)21-20-13)11-3-1-2-4-19-11/h1-6H,18H2
InChIKeyNXPYYQAHIZZWBO-UHFFFAOYSA-N
MW307.69 g/mol
LogP3.92
Rot. Bonds2

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

3-(4-chloro-2,5-difluorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine (PubChem CID 82772619) has the molecular formula C14H8ClF2N3O and a molecular weight of 307.69 g/mol. Its IUPAC name is 3-(4-chloro-2,5-difluorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-chloro-2,5-difluorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
PubChem CID82772619
Molecular FormulaC14H8ClF2N3O
Molecular Weight307.69 g/mol
Exact Mass307.03
IUPAC Name3-(4-chloro-2,5-difluorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(F)c(Cl)cc2F)c1-c1ccccn1
InChIInChI=1S/C14H8ClF2N3O/c15-8-6-9(16)7(5-10(8)17)13-12(14(18)21-20-13)11-3-1-2-4-19-11/h1-6H,18H2
InChIKeyNXPYYQAHIZZWBO-UHFFFAOYSA-N
XLogP3.92
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,5-difluorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-chloro-2,5-difluorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine (CID 82772619) is 3-(4-chloro-2,5-difluorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-chloro-2,5-difluorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-chloro-2,5-difluorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine is Nc1onc(-c2cc(F)c(Cl)cc2F)c1-c1ccccn1.
What is the InChIKey of 3-(4-chloro-2,5-difluorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine?
The InChIKey is NXPYYQAHIZZWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N3O/c15-8-6-9(16)7(5-10(8)17)13-12(14(18)21-20-13)11-3-1-2-4-19-11/h1-6H,18H2.
What are the key properties of 3-(4-chloro-2,5-difluorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine?
3-(4-chloro-2,5-difluorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine has a molecular weight of 307.69 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,5-difluorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 82772619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).