N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C21H22N2O4S — CID 41475071

IUPACN-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESC[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H22N2O4S/c1-15(16-8-10-18(11-9-16)28(2,25)26)23-20(24)12-13-21-22-14-19(27-21)17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyHNVHHTOURZKJJW-OAHLLOKOSA-N
MW398.48 g/mol
LogP3.56
Rot. Bonds7

About N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 41475071) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID41475071
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESC[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H22N2O4S/c1-15(16-8-10-18(11-9-16)28(2,25)26)23-20(24)12-13-21-22-14-19(27-21)17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyHNVHHTOURZKJJW-OAHLLOKOSA-N
XLogP3.56
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-phenylethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784776
N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24516334
N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51934580
(3R)-3-[3-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanoylamino]-N-propan-2-ylbutanamide
CID 97318101
N-[1-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51310753
N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide
CID 97318606
3-(5-phenyl-1,3-oxazol-2-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 134010985
N-[(4-methylphenyl)-phenylmethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16599378
N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120505530
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 55500513
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 41433405

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 41475071) is N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is HNVHHTOURZKJJW-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-15(16-8-10-18(11-9-16)28(2,25)26)23-20(24)12-13-21-22-14-19(27-21)17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3,(H,23,24)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 398.48 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 41475071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).