N-[(1-ethylpyrrolidin-3-yl)methyl]-2-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]acetamide

C28H31N5O4 — CID 67046571

About N-[(1-ethylpyrrolidin-3-yl)methyl]-2-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]acetamide

N-[(1-ethylpyrrolidin-3-yl)methyl]-2-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]acetamide (PubChem CID 67046571) has the molecular formula C28H31N5O4 and a molecular weight of 501.59 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-2-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[(1-ethylpyrrolidin-3-yl)methyl]-2-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]acetamide
• PubChem CID: 67046571
• Molecular Formula: C28H31N5O4
• Molecular Weight: 501.59 g/mol
• Exact Mass: 501.24
• IUPAC Name: N-[(1-ethylpyrrolidin-3-yl)methyl]-2-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]acetamide
• SMILES: CCN1CCC(CNC(=O)Cc2ccccc2-c2cnc(Nc3ccc(-c4cnco4)c(OC)c3)o2)C1
• InChI: InChI=1S/C28H31N5O4/c1-3-33-11-10-19(17-33)14-30-27(34)12-20-6-4-5-7-22(20)26-16-31-28(37-26)32-21-8-9-23(24(13-21)35-2)25-15-29-18-36-25/h4-9,13,15-16,18-19H,3,10-12,14,17H2,1-2H3,(H,30,34)(H,31,32)
• InChIKey: MPGKESPJLQYFDH-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 105.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.59
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]acetamide?

The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]acetamide (CID 67046571) is N-[(1-ethylpyrrolidin-3-yl)methyl]-2-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]acetamide.

What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]acetamide?

The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]acetamide is CCN1CCC(CNC(=O)Cc2ccccc2-c2cnc(Nc3ccc(-c4cnco4)c(OC)c3)o2)C1.

What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]acetamide?

The InChIKey is MPGKESPJLQYFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O4/c1-3-33-11-10-19(17-33)14-30-27(34)12-20-6-4-5-7-22(20)26-16-31-28(37-26)32-21-8-9-23(24(13-21)35-2)25-15-29-18-36-25/h4-9,13,15-16,18-19H,3,10-12,14,17H2,1-2H3,(H,30,34)(H,31,32).

What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]acetamide?

N-[(1-ethylpyrrolidin-3-yl)methyl]-2-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]acetamide has a molecular weight of 501.59 g/mol, XLogP of 4.75, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 67046571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).