N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-3-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide

C21H27N3O5S — CID 75419398

IUPACN-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-3-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(CNC(=O)CCc1ncc(-c2ccc(S(C)(=O)=O)cc2)o1)CN1CCCC1=O
InChIInChI=1S/C21H27N3O5S/c1-15(14-24-11-3-4-21(24)26)12-22-19(25)9-10-20-23-13-18(29-20)16-5-7-17(8-6-16)30(2,27)28/h5-8,13,15H,3-4,9-12,14H2,1-2H3,(H,22,25)
InChIKeyCPSALPBTWMLQOH-UHFFFAOYSA-N
MW433.53 g/mol
LogP2.05
Rot. Bonds9

About N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-3-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide

N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-3-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 75419398) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-3-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-3-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID75419398
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC NameN-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-3-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(CNC(=O)CCc1ncc(-c2ccc(S(C)(=O)=O)cc2)o1)CN1CCCC1=O
InChIInChI=1S/C21H27N3O5S/c1-15(14-24-11-3-4-21(24)26)12-22-19(25)9-10-20-23-13-18(29-20)16-5-7-17(8-6-16)30(2,27)28/h5-8,13,15H,3-4,9-12,14H2,1-2H3,(H,22,25)
InChIKeyCPSALPBTWMLQOH-UHFFFAOYSA-N
XLogP2.05
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-3-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-3-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide (CID 75419398) is N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-3-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-3-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-3-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide is CC(CNC(=O)CCc1ncc(-c2ccc(S(C)(=O)=O)cc2)o1)CN1CCCC1=O.
What is the InChIKey of N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-3-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is CPSALPBTWMLQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-15(14-24-11-3-4-21(24)26)12-22-19(25)9-10-20-23-13-18(29-20)16-5-7-17(8-6-16)30(2,27)28/h5-8,13,15H,3-4,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-3-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide?
N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-3-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 433.53 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-3-[5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 75419398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).