5-methyl-3-phenyl-4-(1H-pyrazol-5-yl)-1,2-oxazole

C13H11N3O — CID 2745568

IUPAC5-methyl-3-phenyl-4-(1H-pyrazol-5-yl)-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1ccn[nH]1
InChIInChI=1S/C13H11N3O/c1-9-12(11-7-8-14-15-11)13(16-17-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,15)
InChIKeySLEUFOXJFRMHSK-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.04
Rot. Bonds2

About 5-methyl-3-phenyl-4-(1H-pyrazol-5-yl)-1,2-oxazole

5-methyl-3-phenyl-4-(1H-pyrazol-5-yl)-1,2-oxazole (PubChem CID 2745568) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-methyl-3-phenyl-4-(1H-pyrazol-5-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-phenyl-4-(1H-pyrazol-5-yl)-1,2-oxazole
PubChem CID2745568
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name5-methyl-3-phenyl-4-(1H-pyrazol-5-yl)-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1ccn[nH]1
InChIInChI=1S/C13H11N3O/c1-9-12(11-7-8-14-15-11)13(16-17-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,15)
InChIKeySLEUFOXJFRMHSK-UHFFFAOYSA-N
XLogP3.04
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-4-(1H-pyrazol-5-yl)-1,2-oxazole?
The IUPAC name of 5-methyl-3-phenyl-4-(1H-pyrazol-5-yl)-1,2-oxazole (CID 2745568) is 5-methyl-3-phenyl-4-(1H-pyrazol-5-yl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-phenyl-4-(1H-pyrazol-5-yl)-1,2-oxazole?
The canonical SMILES for 5-methyl-3-phenyl-4-(1H-pyrazol-5-yl)-1,2-oxazole is Cc1onc(-c2ccccc2)c1-c1ccn[nH]1.
What is the InChIKey of 5-methyl-3-phenyl-4-(1H-pyrazol-5-yl)-1,2-oxazole?
The InChIKey is SLEUFOXJFRMHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-9-12(11-7-8-14-15-11)13(16-17-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,15).
What are the key properties of 5-methyl-3-phenyl-4-(1H-pyrazol-5-yl)-1,2-oxazole?
5-methyl-3-phenyl-4-(1H-pyrazol-5-yl)-1,2-oxazole has a molecular weight of 225.25 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-4-(1H-pyrazol-5-yl)-1,2-oxazole is sourced from PubChem (CID 2745568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).