2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-1-(4-phenylpiperazin-1-yl)ethanone

C20H27N3O2 — CID 84575408

IUPAC2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1nc(C(C)(C)C)oc1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H27N3O2/c1-15-17(25-19(21-15)20(2,3)4)14-18(24)23-12-10-22(11-13-23)16-8-6-5-7-9-16/h5-9H,10-14H2,1-4H3
InChIKeyQSSQTIKSTRTXCS-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.17
Rot. Bonds3

About 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-1-(4-phenylpiperazin-1-yl)ethanone

2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 84575408) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID84575408
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1nc(C(C)(C)C)oc1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H27N3O2/c1-15-17(25-19(21-15)20(2,3)4)14-18(24)23-12-10-22(11-13-23)16-8-6-5-7-9-16/h5-9H,10-14H2,1-4H3
InChIKeyQSSQTIKSTRTXCS-UHFFFAOYSA-N
XLogP3.17
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-1-(4-phenylpiperazin-1-yl)ethanone (CID 84575408) is 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-1-(4-phenylpiperazin-1-yl)ethanone is Cc1nc(C(C)(C)C)oc1CC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is QSSQTIKSTRTXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15-17(25-19(21-15)20(2,3)4)14-18(24)23-12-10-22(11-13-23)16-8-6-5-7-9-16/h5-9H,10-14H2,1-4H3.
What are the key properties of 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 341.46 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 84575408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).