N-(2-methoxyethyl)-4-methyl-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide

C26H32N4O3 — CID 46028205

IUPACN-(2-methoxyethyl)-4-methyl-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
SMILESCOCCN(Cc1c(-c2ccccc2)noc1N1CCN(C)CC1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C26H32N4O3/c1-20-9-11-22(12-10-20)25(31)30(17-18-32-3)19-23-24(21-7-5-4-6-8-21)27-33-26(23)29-15-13-28(2)14-16-29/h4-12H,13-19H2,1-3H3
InChIKeyMQMHPUDRXFCMNS-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.69
Rot. Bonds8

About N-(2-methoxyethyl)-4-methyl-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide

N-(2-methoxyethyl)-4-methyl-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide (PubChem CID 46028205) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
PubChem CID46028205
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-(2-methoxyethyl)-4-methyl-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
SMILESCOCCN(Cc1c(-c2ccccc2)noc1N1CCN(C)CC1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C26H32N4O3/c1-20-9-11-22(12-10-20)25(31)30(17-18-32-3)19-23-24(21-7-5-4-6-8-21)27-33-26(23)29-15-13-28(2)14-16-29/h4-12H,13-19H2,1-3H3
InChIKeyMQMHPUDRXFCMNS-UHFFFAOYSA-N
XLogP3.69
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46027677
3-methoxy-N-(2-methoxyethyl)-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 46153579
2-fluoro-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46027679
4-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide
CID 46152821
N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46027790
N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 24719374
N-(2-methoxyethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 46027834
N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 93222363
1-(3-methoxypropyl)-3-(4-methylphenyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea
CID 46027947
4-fluoro-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)benzamide
CID 46027748
3-methoxy-N-(3-methylbutyl)-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 42843865
N-(2-methoxyethyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide
CID 46014996

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide (CID 46028205) is N-(2-methoxyethyl)-4-methyl-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide is COCCN(Cc1c(-c2ccccc2)noc1N1CCN(C)CC1)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?
The InChIKey is MQMHPUDRXFCMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-20-9-11-22(12-10-20)25(31)30(17-18-32-3)19-23-24(21-7-5-4-6-8-21)27-33-26(23)29-15-13-28(2)14-16-29/h4-12H,13-19H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-4-methyl-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?
N-(2-methoxyethyl)-4-methyl-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide has a molecular weight of 448.57 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide is sourced from PubChem (CID 46028205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).