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

C14H8ClF2N3O — CID 82772621

IUPAC3-(4-chloro-2,5-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(F)c(Cl)cc2F)c1-c1ccncc1
InChIInChI=1S/C14H8ClF2N3O/c15-9-6-10(16)8(5-11(9)17)13-12(14(18)21-20-13)7-1-3-19-4-2-7/h1-6H,18H2
InChIKeyDJYNSHXFUQMILK-UHFFFAOYSA-N
MW307.69 g/mol
LogP3.92
Rot. Bonds2

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

3-(4-chloro-2,5-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine (PubChem CID 82772621) 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-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-chloro-2,5-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
PubChem CID82772621
Molecular FormulaC14H8ClF2N3O
Molecular Weight307.69 g/mol
Exact Mass307.03
IUPAC Name3-(4-chloro-2,5-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(F)c(Cl)cc2F)c1-c1ccncc1
InChIInChI=1S/C14H8ClF2N3O/c15-9-6-10(16)8(5-11(9)17)13-12(14(18)21-20-13)7-1-3-19-4-2-7/h1-6H,18H2
InChIKeyDJYNSHXFUQMILK-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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Related Compounds

Akp-001
CID 11626055
3-(4-Fluorophenyl)-4-pyridin-4-yl-1,2-oxazole
CID 9816180
2-(4-(5-Amino-3-(pyridin-4-yl)isoxazol-4-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10272495
2-(2-chlorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 11502801
2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 11640137
4-[3-(4-Fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine
CID 16115351
5-Amino-3-(4-fluorophenyl)-4-(4-pyrimidinyl)isoxazole
CID 57467725
3-(4-Fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 58659496
N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 118706305
N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 118706306
Cambridge id 6131393
CID 702091
N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-4-phenylbutanamide
CID 118706307

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,5-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-chloro-2,5-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine (CID 82772621) is 3-(4-chloro-2,5-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-chloro-2,5-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-chloro-2,5-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine is Nc1onc(-c2cc(F)c(Cl)cc2F)c1-c1ccncc1.
What is the InChIKey of 3-(4-chloro-2,5-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The InChIKey is DJYNSHXFUQMILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N3O/c15-9-6-10(16)8(5-11(9)17)13-12(14(18)21-20-13)7-1-3-19-4-2-7/h1-6H,18H2.
What are the key properties of 3-(4-chloro-2,5-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
3-(4-chloro-2,5-difluorophenyl)-4-pyridin-4-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-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 82772621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).