5-methyl-3-[4-(1-methylpyrazol-4-yl)phenyl]-1,2-oxazole

C14H13N3O — CID 155277374

IUPAC5-methyl-3-[4-(1-methylpyrazol-4-yl)phenyl]-1,2-oxazole
SMILESCc1cc(-c2ccc(-c3cnn(C)c3)cc2)no1
InChIInChI=1S/C14H13N3O/c1-10-7-14(16-18-10)12-5-3-11(4-6-12)13-8-15-17(2)9-13/h3-9H,1-2H3
InChIKeyDXNOSDNGHIHIBN-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.05
Rot. Bonds2

About 5-methyl-3-[4-(1-methylpyrazol-4-yl)phenyl]-1,2-oxazole

5-methyl-3-[4-(1-methylpyrazol-4-yl)phenyl]-1,2-oxazole (PubChem CID 155277374) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-methyl-3-[4-(1-methylpyrazol-4-yl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[4-(1-methylpyrazol-4-yl)phenyl]-1,2-oxazole
PubChem CID155277374
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name5-methyl-3-[4-(1-methylpyrazol-4-yl)phenyl]-1,2-oxazole
SMILESCc1cc(-c2ccc(-c3cnn(C)c3)cc2)no1
InChIInChI=1S/C14H13N3O/c1-10-7-14(16-18-10)12-5-3-11(4-6-12)13-8-15-17(2)9-13/h3-9H,1-2H3
InChIKeyDXNOSDNGHIHIBN-UHFFFAOYSA-N
XLogP3.05
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-(1-methylpyrazol-4-yl)phenyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[4-(1-methylpyrazol-4-yl)phenyl]-1,2-oxazole (CID 155277374) is 5-methyl-3-[4-(1-methylpyrazol-4-yl)phenyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[4-(1-methylpyrazol-4-yl)phenyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[4-(1-methylpyrazol-4-yl)phenyl]-1,2-oxazole is Cc1cc(-c2ccc(-c3cnn(C)c3)cc2)no1.
What is the InChIKey of 5-methyl-3-[4-(1-methylpyrazol-4-yl)phenyl]-1,2-oxazole?
The InChIKey is DXNOSDNGHIHIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10-7-14(16-18-10)12-5-3-11(4-6-12)13-8-15-17(2)9-13/h3-9H,1-2H3.
What are the key properties of 5-methyl-3-[4-(1-methylpyrazol-4-yl)phenyl]-1,2-oxazole?
5-methyl-3-[4-(1-methylpyrazol-4-yl)phenyl]-1,2-oxazole has a molecular weight of 239.28 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-(1-methylpyrazol-4-yl)phenyl]-1,2-oxazole is sourced from PubChem (CID 155277374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).