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

C21H21N3O2 — CID 56965286

IUPAC2-(3-ethyl-1-methylpyrazol-5-yl)-4-(4-phenoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCc1cc(C2=NC(c3ccc(Oc4ccccc4)cc3)CO2)n(C)n1
InChIInChI=1S/C21H21N3O2/c1-3-16-13-20(24(2)23-16)21-22-19(14-25-21)15-9-11-18(12-10-15)26-17-7-5-4-6-8-17/h4-13,19H,3,14H2,1-2H3
InChIKeyBQJWYYOVDIDGPF-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.29
Rot. Bonds5

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

2-(3-ethyl-1-methylpyrazol-5-yl)-4-(4-phenoxyphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 56965286) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-5-yl)-4-(4-phenoxyphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-5-yl)-4-(4-phenoxyphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID56965286
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-(3-ethyl-1-methylpyrazol-5-yl)-4-(4-phenoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCc1cc(C2=NC(c3ccc(Oc4ccccc4)cc3)CO2)n(C)n1
InChIInChI=1S/C21H21N3O2/c1-3-16-13-20(24(2)23-16)21-22-19(14-25-21)15-9-11-18(12-10-15)26-17-7-5-4-6-8-17/h4-13,19H,3,14H2,1-2H3
InChIKeyBQJWYYOVDIDGPF-UHFFFAOYSA-N
XLogP4.29
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-4-(4-phenoxyphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-4-(4-phenoxyphenyl)-4,5-dihydro-1,3-oxazole (CID 56965286) is 2-(3-ethyl-1-methylpyrazol-5-yl)-4-(4-phenoxyphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-5-yl)-4-(4-phenoxyphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-5-yl)-4-(4-phenoxyphenyl)-4,5-dihydro-1,3-oxazole is CCc1cc(C2=NC(c3ccc(Oc4ccccc4)cc3)CO2)n(C)n1.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-5-yl)-4-(4-phenoxyphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is BQJWYYOVDIDGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-16-13-20(24(2)23-16)21-22-19(14-25-21)15-9-11-18(12-10-15)26-17-7-5-4-6-8-17/h4-13,19H,3,14H2,1-2H3.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-5-yl)-4-(4-phenoxyphenyl)-4,5-dihydro-1,3-oxazole?
2-(3-ethyl-1-methylpyrazol-5-yl)-4-(4-phenoxyphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 347.42 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-5-yl)-4-(4-phenoxyphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 56965286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).