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

C13H10ClN3O — CID 2745567

IUPAC3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)-1,2-oxazole
SMILESCc1onc(-c2ccc(Cl)cc2)c1-c1ccn[nH]1
InChIInChI=1S/C13H10ClN3O/c1-8-12(11-6-7-15-16-11)13(17-18-8)9-2-4-10(14)5-3-9/h2-7H,1H3,(H,15,16)
InChIKeyXHCYGHSYBRUUGN-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.69
Rot. Bonds2

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

3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)-1,2-oxazole (PubChem CID 2745567) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)-1,2-oxazole
PubChem CID2745567
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)-1,2-oxazole
SMILESCc1onc(-c2ccc(Cl)cc2)c1-c1ccn[nH]1
InChIInChI=1S/C13H10ClN3O/c1-8-12(11-6-7-15-16-11)13(17-18-8)9-2-4-10(14)5-3-9/h2-7H,1H3,(H,15,16)
InChIKeyXHCYGHSYBRUUGN-UHFFFAOYSA-N
XLogP3.69
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)-1,2-oxazole (CID 2745567) is 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)-1,2-oxazole is Cc1onc(-c2ccc(Cl)cc2)c1-c1ccn[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)-1,2-oxazole?
The InChIKey is XHCYGHSYBRUUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c1-8-12(11-6-7-15-16-11)13(17-18-8)9-2-4-10(14)5-3-9/h2-7H,1H3,(H,15,16).
What are the key properties of 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)-1,2-oxazole?
3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)-1,2-oxazole has a molecular weight of 259.70 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)-1,2-oxazole is sourced from PubChem (CID 2745567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).