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

C14H13FN4O — CID 102801816

IUPAC3-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
SMILESCc1nn(C)cc1-c1noc(N)c1-c1ccc(F)cc1
InChIInChI=1S/C14H13FN4O/c1-8-11(7-19(2)17-8)13-12(14(16)20-18-13)9-3-5-10(15)6-4-9/h3-7H,16H2,1-2H3
InChIKeyGBYRTVDSMABPRM-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.77
Rot. Bonds2

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

3-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 102801816) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID102801816
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
SMILESCc1nn(C)cc1-c1noc(N)c1-c1ccc(F)cc1
InChIInChI=1S/C14H13FN4O/c1-8-11(7-19(2)17-8)13-12(14(16)20-18-13)9-3-5-10(15)6-4-9/h3-7H,16H2,1-2H3
InChIKeyGBYRTVDSMABPRM-UHFFFAOYSA-N
XLogP2.77
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine (CID 102801816) is 3-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine is Cc1nn(C)cc1-c1noc(N)c1-c1ccc(F)cc1.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is GBYRTVDSMABPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-8-11(7-19(2)17-8)13-12(14(16)20-18-13)9-3-5-10(15)6-4-9/h3-7H,16H2,1-2H3.
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine?
3-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 272.28 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 102801816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).