N-[2-(morpholin-4-ylmethyl)phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide

C23H25N3O3S — CID 55900598

IUPACN-[2-(morpholin-4-ylmethyl)phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
SMILESO=C(CSCc1coc(-c2ccccc2)n1)Nc1ccccc1CN1CCOCC1
InChIInChI=1S/C23H25N3O3S/c27-22(17-30-16-20-15-29-23(24-20)18-6-2-1-3-7-18)25-21-9-5-4-8-19(21)14-26-10-12-28-13-11-26/h1-9,15H,10-14,16-17H2,(H,25,27)
InChIKeyUIKUFEYTUFYOKH-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.05
Rot. Bonds8

About N-[2-(morpholin-4-ylmethyl)phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide

N-[2-(morpholin-4-ylmethyl)phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide (PubChem CID 55900598) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[2-(morpholin-4-ylmethyl)phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(morpholin-4-ylmethyl)phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
PubChem CID55900598
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-[2-(morpholin-4-ylmethyl)phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
SMILESO=C(CSCc1coc(-c2ccccc2)n1)Nc1ccccc1CN1CCOCC1
InChIInChI=1S/C23H25N3O3S/c27-22(17-30-16-20-15-29-23(24-20)18-6-2-1-3-7-18)25-21-9-5-4-8-19(21)14-26-10-12-28-13-11-26/h1-9,15H,10-14,16-17H2,(H,25,27)
InChIKeyUIKUFEYTUFYOKH-UHFFFAOYSA-N
XLogP4.05
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 55629856
N-phenyl-2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]acetamide
CID 55990346
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 56580153
2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 55630083
N-(2-aminoethyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 119385455
2-methyl-1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111552737
2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 55876338
N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 60622319
2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]propanoic acid
CID 119225340
1-morpholin-4-yl-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
CID 38549400
N-(4-hydroxycyclohexyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 110893981
(2S)-2-methyl-3-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]propanoic acid
CID 97087268

Frequently Asked Questions

What is the IUPAC name of N-[2-(morpholin-4-ylmethyl)phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[2-(morpholin-4-ylmethyl)phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide (CID 55900598) is N-[2-(morpholin-4-ylmethyl)phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[2-(morpholin-4-ylmethyl)phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[2-(morpholin-4-ylmethyl)phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide is O=C(CSCc1coc(-c2ccccc2)n1)Nc1ccccc1CN1CCOCC1.
What is the InChIKey of N-[2-(morpholin-4-ylmethyl)phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is UIKUFEYTUFYOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c27-22(17-30-16-20-15-29-23(24-20)18-6-2-1-3-7-18)25-21-9-5-4-8-19(21)14-26-10-12-28-13-11-26/h1-9,15H,10-14,16-17H2,(H,25,27).
What are the key properties of N-[2-(morpholin-4-ylmethyl)phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
N-[2-(morpholin-4-ylmethyl)phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 423.54 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(morpholin-4-ylmethyl)phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 55900598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).