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

C14H12F2N4O — CID 102801837

IUPAC4-(2,4-difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine
SMILESCc1nn(C)cc1-c1noc(N)c1-c1ccc(F)cc1F
InChIInChI=1S/C14H12F2N4O/c1-7-10(6-20(2)18-7)13-12(14(17)21-19-13)9-4-3-8(15)5-11(9)16/h3-6H,17H2,1-2H3
InChIKeyLBAQEMXSOUJWJB-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.91
Rot. Bonds2

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

4-(2,4-difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine (PubChem CID 102801837) has the molecular formula C14H12F2N4O and a molecular weight of 290.27 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine
PubChem CID102801837
Molecular FormulaC14H12F2N4O
Molecular Weight290.27 g/mol
Exact Mass290.10
IUPAC Name4-(2,4-difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine
SMILESCc1nn(C)cc1-c1noc(N)c1-c1ccc(F)cc1F
InChIInChI=1S/C14H12F2N4O/c1-7-10(6-20(2)18-7)13-12(14(17)21-19-13)9-4-3-8(15)5-11(9)16/h3-6H,17H2,1-2H3
InChIKeyLBAQEMXSOUJWJB-UHFFFAOYSA-N
XLogP2.91
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine (CID 102801837) is 4-(2,4-difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine is Cc1nn(C)cc1-c1noc(N)c1-c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine?
The InChIKey is LBAQEMXSOUJWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4O/c1-7-10(6-20(2)18-7)13-12(14(17)21-19-13)9-4-3-8(15)5-11(9)16/h3-6H,17H2,1-2H3.
What are the key properties of 4-(2,4-difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine?
4-(2,4-difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine has a molecular weight of 290.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 102801837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).