N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C29H28N4O4 — CID 166108910

About N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 166108910) has the molecular formula C29H28N4O4 and a molecular weight of 496.57 g/mol. Its IUPAC name is N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
• PubChem CID: 166108910
• Molecular Formula: C29H28N4O4
• Molecular Weight: 496.57 g/mol
• Exact Mass: 496.21
• IUPAC Name: N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
• SMILES: COc1nc(-c2ccc(CN3CC4(COC4)C3)cc2)ccc1NC(=O)c1c(-c2ccccc2)noc1C
• InChI: InChI=1S/C29H28N4O4/c1-19-25(26(32-37-19)22-6-4-3-5-7-22)27(34)30-24-13-12-23(31-28(24)35-2)21-10-8-20(9-11-21)14-33-15-29(16-33)17-36-18-29/h3-13H,14-18H2,1-2H3,(H,30,34)
• InChIKey: KUMQLKPKEXNRBJ-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 89.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.57
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?

The IUPAC name of N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 166108910) is N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1nc(-c2ccc(CN3CC4(COC4)C3)cc2)ccc1NC(=O)c1c(-c2ccccc2)noc1C.

What is the InChIKey of N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?

The InChIKey is KUMQLKPKEXNRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O4/c1-19-25(26(32-37-19)22-6-4-3-5-7-22)27(34)30-24-13-12-23(31-28(24)35-2)21-10-8-20(9-11-21)14-33-15-29(16-33)17-36-18-29/h3-13H,14-18H2,1-2H3,(H,30,34).

What are the key properties of N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?

N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 496.57 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166108910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).