3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-amine

C14H14N4O — CID 141063590

IUPAC3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-amine
SMILESCc1nn(-c2ccccc2)c(C)c1-c1cc(N)on1
InChIInChI=1S/C14H14N4O/c1-9-14(12-8-13(15)19-17-12)10(2)18(16-9)11-6-4-3-5-7-11/h3-8H,15H2,1-2H3
InChIKeyACYXSBKGNBPNJJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.73
Rot. Bonds2

About 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-amine

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-amine (PubChem CID 141063590) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-amine
PubChem CID141063590
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-amine
SMILESCc1nn(-c2ccccc2)c(C)c1-c1cc(N)on1
InChIInChI=1S/C14H14N4O/c1-9-14(12-8-13(15)19-17-12)10(2)18(16-9)11-6-4-3-5-7-11/h3-8H,15H2,1-2H3
InChIKeyACYXSBKGNBPNJJ-UHFFFAOYSA-N
XLogP2.73
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole
CID 2740693
3-chloro-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)aniline
CID 107616169
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methyl-1,3-thiazol-2-amine
CID 82106387
5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326239
[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)furan-2-yl]methanamine
CID 106888657
[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine
CID 61033660
(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane
CID 130535844
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine
CID 82106390
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 34323364
2-(5-amino-1,2-oxazol-3-yl)benzene-1,3-diol
CID 137015303
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile
CID 102168714

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-amine (CID 141063590) is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-amine is Cc1nn(-c2ccccc2)c(C)c1-c1cc(N)on1.
What is the InChIKey of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-amine?
The InChIKey is ACYXSBKGNBPNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-14(12-8-13(15)19-17-12)10(2)18(16-9)11-6-4-3-5-7-11/h3-8H,15H2,1-2H3.
What are the key properties of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-amine?
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-amine has a molecular weight of 254.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 141063590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).