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

C16H14FN3O — CID 139825921

IUPACN-ethyl-3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESCCNc1onc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C16H14FN3O/c1-2-19-16-14(11-7-9-18-10-8-11)15(20-21-16)12-3-5-13(17)6-4-12/h3-10,19H,2H2,1H3
InChIKeyJZQODVURIJBGDD-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.97
Rot. Bonds4

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

N-ethyl-3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine (PubChem CID 139825921) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-ethyl-3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
PubChem CID139825921
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-ethyl-3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESCCNc1onc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C16H14FN3O/c1-2-19-16-14(11-7-9-18-10-8-11)15(20-21-16)12-3-5-13(17)6-4-12/h3-10,19H,2H2,1H3
InChIKeyJZQODVURIJBGDD-UHFFFAOYSA-N
XLogP3.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-N,N-dimethyl-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 139825870
2-cyclopentyl-N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
CID 139825924
N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine
CID 62594100
2-chloro-N-[3-(4-ethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
CID 174583815
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
4-(2-ethoxy-4-pyridinyl)-3-(4-fluorophenyl)-5-methyl-1,2-oxazole
CID 58659495
N-[4-(2-bromo-4-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-2-phenylacetamide
CID 57465234
2-(2-aminophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
CID 57417708
N-ethyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62851902
3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 57417818

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The IUPAC name of N-ethyl-3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine (CID 139825921) is N-ethyl-3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for N-ethyl-3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for N-ethyl-3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine is CCNc1onc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of N-ethyl-3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The InChIKey is JZQODVURIJBGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-2-19-16-14(11-7-9-18-10-8-11)15(20-21-16)12-3-5-13(17)6-4-12/h3-10,19H,2H2,1H3.
What are the key properties of N-ethyl-3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
N-ethyl-3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine has a molecular weight of 283.31 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 139825921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).