5-amino-3-[4-[2-oxo-3-(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

C26H31N5O3 — CID 164976160

About 5-amino-3-[4-[2-oxo-3-(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[4-[2-oxo-3-(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 164976160) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 5-amino-3-[4-[2-oxo-3-(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3-[4-[2-oxo-3-(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
• PubChem CID: 164976160
• Molecular Formula: C26H31N5O3
• Molecular Weight: 461.57 g/mol
• Exact Mass: 461.24
• IUPAC Name: 5-amino-3-[4-[2-oxo-3-(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
• SMILES: CC(C)n1nc(-c2ccc(CC(=O)Cc3cc(C4CC5(CCC5)C4)no3)cc2)c(C(N)=O)c1N
• InChI: InChI=1S/C26H31N5O3/c1-15(2)31-24(27)22(25(28)33)23(29-31)17-6-4-16(5-7-17)10-19(32)11-20-12-21(30-34-20)18-13-26(14-18)8-3-9-26/h4-7,12,15,18H,3,8-11,13-14,27H2,1-2H3,(H2,28,33)
• InChIKey: DURRTVDSVCOQTN-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 130.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.57
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[2-oxo-3-(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The IUPAC name of 5-amino-3-[4-[2-oxo-3-(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 164976160) is 5-amino-3-[4-[2-oxo-3-(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-3-[4-[2-oxo-3-(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The canonical SMILES for 5-amino-3-[4-[2-oxo-3-(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Cc3cc(C4CC5(CCC5)C4)no3)cc2)c(C(N)=O)c1N.

What is the InChIKey of 5-amino-3-[4-[2-oxo-3-(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The InChIKey is DURRTVDSVCOQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-15(2)31-24(27)22(25(28)33)23(29-31)17-6-4-16(5-7-17)10-19(32)11-20-12-21(30-34-20)18-13-26(14-18)8-3-9-26/h4-7,12,15,18H,3,8-11,13-14,27H2,1-2H3,(H2,28,33).

What are the key properties of 5-amino-3-[4-[2-oxo-3-(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

5-amino-3-[4-[2-oxo-3-(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-[4-[2-oxo-3-(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 164976160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).