3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide

C22H22ClN3O5S — CID 29495927

IUPAC3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O
InChIInChI=1S/C22H22ClN3O5S/c23-16-5-3-15(4-6-16)20-14-24-22(31-20)10-9-21(28)25-18-13-17(7-8-19(18)27)32(29,30)26-11-1-2-12-26/h3-8,13-14,27H,1-2,9-12H2,(H,25,28)
InChIKeySVUJGNODUKSUIV-UHFFFAOYSA-N
MW475.95 g/mol
LogP4.06
Rot. Bonds7

About 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 29495927) has the molecular formula C22H22ClN3O5S and a molecular weight of 475.95 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID29495927
Molecular FormulaC22H22ClN3O5S
Molecular Weight475.95 g/mol
Exact Mass475.10
IUPAC Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O
InChIInChI=1S/C22H22ClN3O5S/c23-16-5-3-15(4-6-16)20-14-24-22(31-20)10-9-21(28)25-18-13-17(7-8-19(18)27)32(29,30)26-11-1-2-12-26/h3-8,13-14,27H,1-2,9-12H2,(H,25,28)
InChIKeySVUJGNODUKSUIV-UHFFFAOYSA-N
XLogP4.06
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.95
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 29495929
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16596491
N-(3-chloro-2-morpholin-4-ylphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41270984
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30135477
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
CID 55890052
1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 32648784
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55474079
N-(2,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 51511272
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methoxyphenyl)propanamide
CID 55370121
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 51186069
N-(2-chlorophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590370
N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38932262

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 29495927) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide is O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is SVUJGNODUKSUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O5S/c23-16-5-3-15(4-6-16)20-14-24-22(31-20)10-9-21(28)25-18-13-17(7-8-19(18)27)32(29,30)26-11-1-2-12-26/h3-8,13-14,27H,1-2,9-12H2,(H,25,28).
What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 475.95 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 29495927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).