4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide

C26H32N4O3 — CID 55692442

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)NCC(C)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C26H32N4O3/c1-19(29-13-15-30(16-14-29)23-7-5-4-6-8-23)17-27-26(31)22-9-11-24(12-10-22)32-18-25-20(2)28-33-21(25)3/h4-12,19H,13-18H2,1-3H3,(H,27,31)
InChIKeyCFNGEWYJKANEOA-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.81
Rot. Bonds8

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide (PubChem CID 55692442) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
PubChem CID55692442
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)NCC(C)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C26H32N4O3/c1-19(29-13-15-30(16-14-29)23-7-5-4-6-8-23)17-27-26(31)22-9-11-24(12-10-22)32-18-25-20(2)28-33-21(25)3/h4-12,19H,13-18H2,1-3H3,(H,27,31)
InChIKeyCFNGEWYJKANEOA-UHFFFAOYSA-N
XLogP3.81
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 44823993
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111448110
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 30125187
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 8007252
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 55658959
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
CID 43057556
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
CID 18074313
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 7494471
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide
CID 2466288
N-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 78781700
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 7971440
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 7535370

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide (CID 55692442) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide is Cc1noc(C)c1COc1ccc(C(=O)NCC(C)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide?
The InChIKey is CFNGEWYJKANEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-19(29-13-15-30(16-14-29)23-7-5-4-6-8-23)17-27-26(31)22-9-11-24(12-10-22)32-18-25-20(2)28-33-21(25)3/h4-12,19H,13-18H2,1-3H3,(H,27,31).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide has a molecular weight of 448.57 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 55692442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).