4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide

C26H32N4O3 — CID 44823993

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)NC(C)c2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C26H32N4O3/c1-18(21-5-9-23(10-6-21)30-15-13-29(4)14-16-30)27-26(31)22-7-11-24(12-8-22)32-17-25-19(2)28-33-20(25)3/h5-12,18H,13-17H2,1-4H3,(H,27,31)
InChIKeyCXSVYRKNBQOHEB-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.11
Rot. Bonds7

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide (PubChem CID 44823993) 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-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
PubChem CID44823993
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)NC(C)c2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C26H32N4O3/c1-18(21-5-9-23(10-6-21)30-15-13-29(4)14-16-30)27-26(31)22-7-11-24(12-8-22)32-17-25-19(2)28-33-20(25)3/h5-12,18H,13-17H2,1-4H3,(H,27,31)
InChIKeyCXSVYRKNBQOHEB-UHFFFAOYSA-N
XLogP4.11
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55692442
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 8007252
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 29097966
[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-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 47078883
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 78773318
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-heptan-2-ylbenzamide
CID 42988184
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 9292301
N'-(cyclopropanecarbonyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
CID 34259031
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 30855376
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 46468087
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 92674988

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide (CID 44823993) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide is Cc1noc(C)c1COc1ccc(C(=O)NC(C)c2ccc(N3CCN(C)CC3)cc2)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide?
The InChIKey is CXSVYRKNBQOHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-18(21-5-9-23(10-6-21)30-15-13-29(4)14-16-30)27-26(31)22-7-11-24(12-8-22)32-17-25-19(2)28-33-20(25)3/h5-12,18H,13-17H2,1-4H3,(H,27,31).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide has a molecular weight of 448.57 g/mol, XLogP of 4.11, 7 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-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 44823993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).