N-[2-[4-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide

C25H29N5O2S — CID 26280704

About N-[2-[4-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide

N-[2-[4-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide (PubChem CID 26280704) has the molecular formula C25H29N5O2S and a molecular weight of 463.61 g/mol. Its IUPAC name is N-[2-[4-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide
• PubChem CID: 26280704
• Molecular Formula: C25H29N5O2S
• Molecular Weight: 463.61 g/mol
• Exact Mass: 463.20
• IUPAC Name: N-[2-[4-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide
• SMILES: CCn1nc(C)c(CN(C)Cc2nc(-c3ccccc3NC(=O)c3ccsc3)oc2C)c1C
• InChI: InChI=1S/C25H29N5O2S/c1-6-30-17(3)21(16(2)28-30)13-29(5)14-23-18(4)32-25(27-23)20-9-7-8-10-22(20)26-24(31)19-11-12-33-15-19/h7-12,15H,6,13-14H2,1-5H3,(H,26,31)
• InChIKey: JZZHITQRZRFUPA-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 76.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.61
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide?

The IUPAC name of N-[2-[4-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide (CID 26280704) is N-[2-[4-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide.

What is the SMILES notation for N-[2-[4-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide?

The canonical SMILES for N-[2-[4-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide is CCn1nc(C)c(CN(C)Cc2nc(-c3ccccc3NC(=O)c3ccsc3)oc2C)c1C.

What is the InChIKey of N-[2-[4-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide?

The InChIKey is JZZHITQRZRFUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2S/c1-6-30-17(3)21(16(2)28-30)13-29(5)14-23-18(4)32-25(27-23)20-9-7-8-10-22(20)26-24(31)19-11-12-33-15-19/h7-12,15H,6,13-14H2,1-5H3,(H,26,31).

What are the key properties of N-[2-[4-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide?

N-[2-[4-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide has a molecular weight of 463.61 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 26280704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).