5-amino-2-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carbonitrile

C9H9N5O — CID 102802554

IUPAC5-amino-2-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carbonitrile
SMILESCc1nn(C)cc1-c1nc(C#N)c(N)o1
InChIInChI=1S/C9H9N5O/c1-5-6(4-14(2)13-5)9-12-7(3-10)8(11)15-9/h4H,11H2,1-2H3
InChIKeyLDWKXXNZWXIVRM-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.84
Rot. Bonds1

About 5-amino-2-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carbonitrile

5-amino-2-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 102802554) has the molecular formula C9H9N5O and a molecular weight of 203.20 g/mol. Its IUPAC name is 5-amino-2-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carbonitrile
PubChem CID102802554
Molecular FormulaC9H9N5O
Molecular Weight203.20 g/mol
Exact Mass203.08
IUPAC Name5-amino-2-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carbonitrile
SMILESCc1nn(C)cc1-c1nc(C#N)c(N)o1
InChIInChI=1S/C9H9N5O/c1-5-6(4-14(2)13-5)9-12-7(3-10)8(11)15-9/h4H,11H2,1-2H3
InChIKeyLDWKXXNZWXIVRM-UHFFFAOYSA-N
XLogP0.84
TPSA93.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-(2-chloro-4-methylphenyl)-1,3-oxazole-4-carbonitrile
CID 106864497
5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 66009904
5-amino-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile
CID 66007412
5-amino-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carbonitrile
CID 66009697
5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 66010530
2-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-1,3,4-oxadiazole
CID 169163056
2-(1,3-dimethylpyrazol-4-yl)-5-propyl-1,3,4-oxadiazole
CID 170382996
5-(1,3-dimethylpyrazol-4-yl)-2,3-dimethylimidazol-4-amine
CID 83092115
1-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 102802205
5-amino-2-(5-cyano-2-pyridinyl)-1,3-oxazole-4-carbonitrile
CID 66007820
2-[2-(difluoromethoxy)phenyl]-5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazole
CID 19550390
3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine
CID 112559104

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-2-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carbonitrile (CID 102802554) is 5-amino-2-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-2-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-2-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carbonitrile is Cc1nn(C)cc1-c1nc(C#N)c(N)o1.
What is the InChIKey of 5-amino-2-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is LDWKXXNZWXIVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-5-6(4-14(2)13-5)9-12-7(3-10)8(11)15-9/h4H,11H2,1-2H3.
What are the key properties of 5-amino-2-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carbonitrile?
5-amino-2-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 203.20 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 102802554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).