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

C22H23N3O2S — CID 55876338

IUPAC2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CSCc1coc(-c2ccccc2)n1)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C22H23N3O2S/c26-21(23-18-9-6-10-20(13-18)25-11-4-5-12-25)16-28-15-19-14-27-22(24-19)17-7-2-1-3-8-17/h1-3,6-10,13-14H,4-5,11-12,15-16H2,(H,23,26)
InChIKeyVOBDKMZJGZWORL-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.81
Rot. Bonds7

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

2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 55876338) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
PubChem CID55876338
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CSCc1coc(-c2ccccc2)n1)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C22H23N3O2S/c26-21(23-18-9-6-10-20(13-18)25-11-4-5-12-25)16-28-15-19-14-27-22(24-19)17-7-2-1-3-8-17/h1-3,6-10,13-14H,4-5,11-12,15-16H2,(H,23,26)
InChIKeyVOBDKMZJGZWORL-UHFFFAOYSA-N
XLogP4.81
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 56580153
N-phenyl-2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]acetamide
CID 55990346
N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 55629856
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-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid
CID 119223648
N-[2-(morpholin-4-ylmethyl)phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 55900598
2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]propanoic acid
CID 119225340
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 86898266
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
N-(3-cyanothiophen-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 47046708

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylphenyl)acetamide (CID 55876338) is 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylphenyl)acetamide is O=C(CSCc1coc(-c2ccccc2)n1)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is VOBDKMZJGZWORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c26-21(23-18-9-6-10-20(13-18)25-11-4-5-12-25)16-28-15-19-14-27-22(24-19)17-7-2-1-3-8-17/h1-3,6-10,13-14H,4-5,11-12,15-16H2,(H,23,26).
What are the key properties of 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylphenyl)acetamide?
2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 393.51 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 55876338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).