3,5-dimethyl-4-[7-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole

C16H15N5O — CID 121293033

IUPAC3,5-dimethyl-4-[7-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(-c2cnn(C)c2)c2nc[nH]c2c1
InChIInChI=1S/C16H15N5O/c1-9-15(10(2)22-20-9)11-4-13(12-6-19-21(3)7-12)16-14(5-11)17-8-18-16/h4-8H,1-3H3,(H,17,18)
InChIKeyZNCLBQZXBNGTSU-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.24
Rot. Bonds2

About 3,5-dimethyl-4-[7-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole

3,5-dimethyl-4-[7-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole (PubChem CID 121293033) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 3,5-dimethyl-4-[7-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[7-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole
PubChem CID121293033
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name3,5-dimethyl-4-[7-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(-c2cnn(C)c2)c2nc[nH]c2c1
InChIInChI=1S/C16H15N5O/c1-9-15(10(2)22-20-9)11-4-13(12-6-19-21(3)7-12)16-14(5-11)17-8-18-16/h4-8H,1-3H3,(H,17,18)
InChIKeyZNCLBQZXBNGTSU-UHFFFAOYSA-N
XLogP3.24
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[7-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[7-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole (CID 121293033) is 3,5-dimethyl-4-[7-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[7-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[7-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole is Cc1noc(C)c1-c1cc(-c2cnn(C)c2)c2nc[nH]c2c1.
What is the InChIKey of 3,5-dimethyl-4-[7-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole?
The InChIKey is ZNCLBQZXBNGTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-9-15(10(2)22-20-9)11-4-13(12-6-19-21(3)7-12)16-14(5-11)17-8-18-16/h4-8H,1-3H3,(H,17,18).
What are the key properties of 3,5-dimethyl-4-[7-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole?
3,5-dimethyl-4-[7-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole has a molecular weight of 293.33 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[7-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 121293033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).