4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide

C26H31N3O5 — CID 47078883

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCOc1ccc(C(CN2CCOCC2)NC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1
InChIInChI=1S/C26H31N3O5/c1-18-24(19(2)34-28-18)17-33-23-10-6-21(7-11-23)26(30)27-25(16-29-12-14-32-15-13-29)20-4-8-22(31-3)9-5-20/h4-11,25H,12-17H2,1-3H3,(H,27,30)
InChIKeyNKFGZHRJHZFHGV-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.68
Rot. Bonds9

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 47078883) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
PubChem CID47078883
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCOc1ccc(C(CN2CCOCC2)NC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1
InChIInChI=1S/C26H31N3O5/c1-18-24(19(2)34-28-18)17-33-23-10-6-21(7-11-23)26(30)27-25(16-29-12-14-32-15-13-29)20-4-8-22(31-3)9-5-20/h4-11,25H,12-17H2,1-3H3,(H,27,30)
InChIKeyNKFGZHRJHZFHGV-UHFFFAOYSA-N
XLogP3.68
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide with MolForge

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Related Compounds

N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 31420066
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 55715703
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-phenylbutyl)benzamide
CID 46533721
2-(4-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144531
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 44823993
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31420076
N-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide
CID 28579988
N'-(cyclopropanecarbonyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
CID 34259031
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 29097966
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 31325172
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]-3-methoxy-N'-(4-methoxybenzoyl)benzohydrazide
CID 2093118

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide (CID 47078883) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide is COc1ccc(C(CN2CCOCC2)NC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is NKFGZHRJHZFHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-18-24(19(2)34-28-18)17-33-23-10-6-21(7-11-23)26(30)27-25(16-29-12-14-32-15-13-29)20-4-8-22(31-3)9-5-20/h4-11,25H,12-17H2,1-3H3,(H,27,30).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 465.55 g/mol, XLogP of 3.68, 9 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-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 47078883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).