3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazole

C14H17N5O — CID 19588235

IUPAC3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazole
SMILESCc1nn(C)cc1-c1noc(-c2cn(C)nc2C)c1C
InChIInChI=1S/C14H17N5O/c1-8-13(11-6-18(4)15-9(11)2)17-20-14(8)12-7-19(5)16-10(12)3/h6-7H,1-5H3
InChIKeyIJJBANCMMLHIEK-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.40
Rot. Bonds2

About 3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazole

3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazole (PubChem CID 19588235) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazole
PubChem CID19588235
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazole
SMILESCc1nn(C)cc1-c1noc(-c2cn(C)nc2C)c1C
InChIInChI=1S/C14H17N5O/c1-8-13(11-6-18(4)15-9(11)2)17-20-14(8)12-7-19(5)16-10(12)3/h6-7H,1-5H3
InChIKeyIJJBANCMMLHIEK-UHFFFAOYSA-N
XLogP2.40
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazole?
The IUPAC name of 3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazole (CID 19588235) is 3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazole.
What is the SMILES notation for 3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazole?
The canonical SMILES for 3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazole is Cc1nn(C)cc1-c1noc(-c2cn(C)nc2C)c1C.
What is the InChIKey of 3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazole?
The InChIKey is IJJBANCMMLHIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-8-13(11-6-18(4)15-9(11)2)17-20-14(8)12-7-19(5)16-10(12)3/h6-7H,1-5H3.
What are the key properties of 3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazole?
3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazole has a molecular weight of 271.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazole is sourced from PubChem (CID 19588235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).