4-(4-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole

C15H16ClN3O — CID 56965288

IUPAC4-(4-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole
SMILESCCc1cc(C2=NC(c3ccc(Cl)cc3)CO2)n(C)n1
InChIInChI=1S/C15H16ClN3O/c1-3-12-8-14(19(2)18-12)15-17-13(9-20-15)10-4-6-11(16)7-5-10/h4-8,13H,3,9H2,1-2H3
InChIKeySKFZNKHJCRPGLU-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.15
Rot. Bonds3

About 4-(4-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole

4-(4-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 56965288) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole
PubChem CID56965288
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name4-(4-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole
SMILESCCc1cc(C2=NC(c3ccc(Cl)cc3)CO2)n(C)n1
InChIInChI=1S/C15H16ClN3O/c1-3-12-8-14(19(2)18-12)15-17-13(9-20-15)10-4-6-11(16)7-5-10/h4-8,13H,3,9H2,1-2H3
InChIKeySKFZNKHJCRPGLU-UHFFFAOYSA-N
XLogP3.15
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole (CID 56965288) is 4-(4-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole is CCc1cc(C2=NC(c3ccc(Cl)cc3)CO2)n(C)n1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is SKFZNKHJCRPGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-3-12-8-14(19(2)18-12)15-17-13(9-20-15)10-4-6-11(16)7-5-10/h4-8,13H,3,9H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole?
4-(4-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 289.77 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 56965288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).