4-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide

C25H29N3O2S — CID 46152821

IUPAC4-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide
SMILESCCCN(Cc1c(-c2ccccc2)noc1N1CCSCC1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C25H29N3O2S/c1-3-13-28(24(29)21-11-9-19(2)10-12-21)18-22-23(20-7-5-4-6-8-20)26-30-25(22)27-14-16-31-17-15-27/h4-12H,3,13-18H2,1-2H3
InChIKeyISTBPUWDEFEZEY-UHFFFAOYSA-N
MW435.59 g/mol
LogP5.26
Rot. Bonds7

About 4-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide

4-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide (PubChem CID 46152821) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is 4-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide
PubChem CID46152821
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC Name4-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide
SMILESCCCN(Cc1c(-c2ccccc2)noc1N1CCSCC1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C25H29N3O2S/c1-3-13-28(24(29)21-11-9-19(2)10-12-21)18-22-23(20-7-5-4-6-8-20)26-30-25(22)27-14-16-31-17-15-27/h4-12H,3,13-18H2,1-2H3
InChIKeyISTBPUWDEFEZEY-UHFFFAOYSA-N
XLogP5.26
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.59
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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)-4-methyl-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 46028205
3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide
CID 24718133
N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylbenzamide
CID 46028570
N-butan-2-yl-2-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46023748
2-methoxy-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide
CID 24719794
4-chloro-N-cyclopropyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46023763
1-[(2-methylpropan-2-yl)oxy]-3-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol
CID 42842286
N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46027677
N-[(2S)-butan-2-yl]-3-fluoro-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 93207888
N-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 46023417

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide?
The IUPAC name of 4-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide (CID 46152821) is 4-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide.
What is the SMILES notation for 4-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide?
The canonical SMILES for 4-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide is CCCN(Cc1c(-c2ccccc2)noc1N1CCSCC1)C(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide?
The InChIKey is ISTBPUWDEFEZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c1-3-13-28(24(29)21-11-9-19(2)10-12-21)18-22-23(20-7-5-4-6-8-20)26-30-25(22)27-14-16-31-17-15-27/h4-12H,3,13-18H2,1-2H3.
What are the key properties of 4-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide?
4-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide has a molecular weight of 435.59 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide is sourced from PubChem (CID 46152821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).