N,2,2-trimethyl-N-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propanamide

C21H24N2O3S — CID 112827990

About N,2,2-trimethyl-N-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propanamide

N,2,2-trimethyl-N-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propanamide (PubChem CID 112827990) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propanamide.

Molecular Properties

• Compound Name: N,2,2-trimethyl-N-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propanamide
• PubChem CID: 112827990
• Molecular Formula: C21H24N2O3S
• Molecular Weight: 384.50 g/mol
• Exact Mass: 384.15
• IUPAC Name: N,2,2-trimethyl-N-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propanamide
• SMILES: Cc1oc(-c2cccs2)nc1COc1ccc(N(C)C(=O)C(C)(C)C)cc1
• InChI: InChI=1S/C21H24N2O3S/c1-14-17(22-19(26-14)18-7-6-12-27-18)13-25-16-10-8-15(9-11-16)23(5)20(24)21(2,3)4/h6-12H,13H2,1-5H3
• InChIKey: LEXNSDBTBHWTRL-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 55.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.50
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N,2,2-trimethyl-N-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propanamide (CID 112827990) is N,2,2-trimethyl-N-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propanamide.

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

The canonical SMILES for N,2,2-trimethyl-N-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propanamide is Cc1oc(-c2cccs2)nc1COc1ccc(N(C)C(=O)C(C)(C)C)cc1.

What is the InChIKey of N,2,2-trimethyl-N-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propanamide?

The InChIKey is LEXNSDBTBHWTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-14-17(22-19(26-14)18-7-6-12-27-18)13-25-16-10-8-15(9-11-16)23(5)20(24)21(2,3)4/h6-12H,13H2,1-5H3.

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

N,2,2-trimethyl-N-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propanamide has a molecular weight of 384.50 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,2,2-trimethyl-N-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propanamide is sourced from PubChem (CID 112827990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).