4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide

C26H31N3O4 — CID 46028515

IUPAC4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(Cc2c(-c3cccc(C)c3)noc2N2CCOCC2)C(C)C)cc1
InChIInChI=1S/C26H31N3O4/c1-18(2)29(25(30)20-8-10-22(31-4)11-9-20)17-23-24(21-7-5-6-19(3)16-21)27-33-26(23)28-12-14-32-15-13-28/h5-11,16,18H,12-15,17H2,1-4H3
InChIKeyKEKIXCXZOZZWMP-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.55
Rot. Bonds7

About 4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide

4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide (PubChem CID 46028515) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide
PubChem CID46028515
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(Cc2c(-c3cccc(C)c3)noc2N2CCOCC2)C(C)C)cc1
InChIInChI=1S/C26H31N3O4/c1-18(2)29(25(30)20-8-10-22(31-4)11-9-20)17-23-24(21-7-5-6-19(3)16-21)27-33-26(23)28-12-14-32-15-13-28/h5-11,16,18H,12-15,17H2,1-4H3
InChIKeyKEKIXCXZOZZWMP-UHFFFAOYSA-N
XLogP4.55
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 46028544
N-butan-2-yl-4-methoxy-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]benzamide
CID 42842164
4-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide
CID 24718090
2-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 46028521
4-methyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46028612
N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylbenzamide
CID 46028570
N-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 46028631
4-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93223098
N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide
CID 93207780
2-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylacetamide
CID 42844069
N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 24719720
2-fluoro-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide
CID 46015009

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide (CID 46028515) is 4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide is COc1ccc(C(=O)N(Cc2c(-c3cccc(C)c3)noc2N2CCOCC2)C(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide?
The InChIKey is KEKIXCXZOZZWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-18(2)29(25(30)20-8-10-22(31-4)11-9-20)17-23-24(21-7-5-6-19(3)16-21)27-33-26(23)28-12-14-32-15-13-28/h5-11,16,18H,12-15,17H2,1-4H3.
What are the key properties of 4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide?
4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide has a molecular weight of 449.55 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 46028515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).