N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide

C23H25N3O3S — CID 22777992

About N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide

N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide (PubChem CID 22777992) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide.

Molecular Properties

• Compound Name: N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
• PubChem CID: 22777992
• Molecular Formula: C23H25N3O3S
• Molecular Weight: 423.54 g/mol
• Exact Mass: 423.16
• IUPAC Name: N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
• SMILES: CCCCC(=O)Nc1ccc(SC(C(=O)Nc2cc(C)on2)c2ccccc2)cc1
• InChI: InChI=1S/C23H25N3O3S/c1-3-4-10-21(27)24-18-11-13-19(14-12-18)30-22(17-8-6-5-7-9-17)23(28)25-20-15-16(2)29-26-20/h5-9,11-15,22H,3-4,10H2,1-2H3,(H,24,27)(H,25,26,28)
• InChIKey: FZZRPGITNHMNJU-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.54
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide?

The IUPAC name of N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide (CID 22777992) is N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide.

What is the SMILES notation for N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide?

The canonical SMILES for N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide is CCCCC(=O)Nc1ccc(SC(C(=O)Nc2cc(C)on2)c2ccccc2)cc1.

What is the InChIKey of N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide?

The InChIKey is FZZRPGITNHMNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-3-4-10-21(27)24-18-11-13-19(14-12-18)30-22(17-8-6-5-7-9-17)23(28)25-20-15-16(2)29-26-20/h5-9,11-15,22H,3-4,10H2,1-2H3,(H,24,27)(H,25,26,28).

What are the key properties of N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide?

N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide has a molecular weight of 423.54 g/mol, XLogP of 5.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide is sourced from PubChem (CID 22777992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).