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

C19H25N3O — CID 56965285

IUPAC4-(4-tert-butylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole
SMILESCCc1cc(C2=NC(c3ccc(C(C)(C)C)cc3)CO2)n(C)n1
InChIInChI=1S/C19H25N3O/c1-6-15-11-17(22(5)21-15)18-20-16(12-23-18)13-7-9-14(10-8-13)19(2,3)4/h7-11,16H,6,12H2,1-5H3
InChIKeyDEKHDJSXBMJRMY-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.80
Rot. Bonds3

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

4-(4-tert-butylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 56965285) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole
PubChem CID56965285
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name4-(4-tert-butylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole
SMILESCCc1cc(C2=NC(c3ccc(C(C)(C)C)cc3)CO2)n(C)n1
InChIInChI=1S/C19H25N3O/c1-6-15-11-17(22(5)21-15)18-20-16(12-23-18)13-7-9-14(10-8-13)19(2,3)4/h7-11,16H,6,12H2,1-5H3
InChIKeyDEKHDJSXBMJRMY-UHFFFAOYSA-N
XLogP3.80
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(4-tert-butylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole (CID 56965285) is 4-(4-tert-butylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(4-tert-butylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole is CCc1cc(C2=NC(c3ccc(C(C)(C)C)cc3)CO2)n(C)n1.
What is the InChIKey of 4-(4-tert-butylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is DEKHDJSXBMJRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-6-15-11-17(22(5)21-15)18-20-16(12-23-18)13-7-9-14(10-8-13)19(2,3)4/h7-11,16H,6,12H2,1-5H3.
What are the key properties of 4-(4-tert-butylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole?
4-(4-tert-butylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 311.43 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 56965285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).