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

C16H14FN3O — CID 139825870

IUPAC3-(4-fluorophenyl)-N,N-dimethyl-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESCN(C)c1onc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C16H14FN3O/c1-20(2)16-14(11-7-9-18-10-8-11)15(19-21-16)12-3-5-13(17)6-4-12/h3-10H,1-2H3
InChIKeyHOHPDWAWEGFOEE-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.61
Rot. Bonds3

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

3-(4-fluorophenyl)-N,N-dimethyl-4-pyridin-4-yl-1,2-oxazol-5-amine (PubChem CID 139825870) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N,N-dimethyl-4-pyridin-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N,N-dimethyl-4-pyridin-4-yl-1,2-oxazol-5-amine
PubChem CID139825870
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name3-(4-fluorophenyl)-N,N-dimethyl-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESCN(C)c1onc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C16H14FN3O/c1-20(2)16-14(11-7-9-18-10-8-11)15(19-21-16)12-3-5-13(17)6-4-12/h3-10H,1-2H3
InChIKeyHOHPDWAWEGFOEE-UHFFFAOYSA-N
XLogP3.61
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 139825921
N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylethanethioamide
CID 139825880
3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830483
(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine
CID 59038044
2-cyclopentyl-N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
CID 139825924
N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-thiophen-3-ylacetamide
CID 67197595
3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 57417818
4-(4-fluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670755
4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22262543
2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine
CID 22953668
3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 69006280
4-(4-fluorophenyl)-3-pyrimidin-5-yl-1,2-oxazol-5-amine
CID 102922007

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N,N-dimethyl-4-pyridin-4-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-fluorophenyl)-N,N-dimethyl-4-pyridin-4-yl-1,2-oxazol-5-amine (CID 139825870) is 3-(4-fluorophenyl)-N,N-dimethyl-4-pyridin-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N,N-dimethyl-4-pyridin-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N,N-dimethyl-4-pyridin-4-yl-1,2-oxazol-5-amine is CN(C)c1onc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 3-(4-fluorophenyl)-N,N-dimethyl-4-pyridin-4-yl-1,2-oxazol-5-amine?
The InChIKey is HOHPDWAWEGFOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-20(2)16-14(11-7-9-18-10-8-11)15(19-21-16)12-3-5-13(17)6-4-12/h3-10H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-N,N-dimethyl-4-pyridin-4-yl-1,2-oxazol-5-amine?
3-(4-fluorophenyl)-N,N-dimethyl-4-pyridin-4-yl-1,2-oxazol-5-amine has a molecular weight of 283.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N,N-dimethyl-4-pyridin-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 139825870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).