4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methoxybenzamide

C26H32N4O4 — CID 25333549

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methoxybenzamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)CC1
InChIInChI=1S/C26H32N4O4/c1-5-29-12-14-30(15-13-29)23-9-7-6-8-22(23)27-26(31)20-10-11-24(25(16-20)32-4)33-17-21-18(2)28-34-19(21)3/h6-11,16H,5,12-15,17H2,1-4H3,(H,27,31)
InChIKeyGJBZOYNFNJFYQN-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.27
Rot. Bonds8

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methoxybenzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methoxybenzamide (PubChem CID 25333549) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methoxybenzamide
PubChem CID25333549
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methoxybenzamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)CC1
InChIInChI=1S/C26H32N4O4/c1-5-29-12-14-30(15-13-29)23-9-7-6-8-22(23)27-26(31)20-10-11-24(25(16-20)32-4)33-17-21-18(2)28-34-19(21)3/h6-11,16H,5,12-15,17H2,1-4H3,(H,27,31)
InChIKeyGJBZOYNFNJFYQN-UHFFFAOYSA-N
XLogP4.27
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-morpholin-4-ylphenyl)benzamide;4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide;ethane;molecular hydrogen
CID 142437080
(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 55359320
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55986766
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 46555174
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-fluorophenyl)-3-methoxybenzamide
CID 26086460
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 46433797
3,4-dihydro-1H-isoquinolin-2-yl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methanone
CID 27659563
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 55475575
4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide
CID 35781681
3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 30493384
N-[2-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 46534125
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone
CID 24541436

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methoxybenzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methoxybenzamide (CID 25333549) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methoxybenzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methoxybenzamide is CCN1CCN(c2ccccc2NC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)CC1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methoxybenzamide?
The InChIKey is GJBZOYNFNJFYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-5-29-12-14-30(15-13-29)23-9-7-6-8-22(23)27-26(31)20-10-11-24(25(16-20)32-4)33-17-21-18(2)28-34-19(21)3/h6-11,16H,5,12-15,17H2,1-4H3,(H,27,31).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methoxybenzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methoxybenzamide has a molecular weight of 464.57 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 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-ethylpiperazin-1-yl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 25333549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).