(2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide

C25H27N3O4 — CID 129261095

About (2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide

(2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 129261095) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is (2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide
• PubChem CID: 129261095
• Molecular Formula: C25H27N3O4
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.20
• IUPAC Name: (2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide
• SMILES: Cc1cc([C@@H]2CC2C(=O)Nc2cc(-c3ccc(OC4CCOCC4)c(C)c3)ccn2)on1
• InChI: InChI=1S/C25H27N3O4/c1-15-11-17(3-4-22(15)31-19-6-9-30-10-7-19)18-5-8-26-24(13-18)27-25(29)21-14-20(21)23-12-16(2)28-32-23/h3-5,8,11-13,19-21H,6-7,9-10,14H2,1-2H3,(H,26,27,29)/t20-,21?/m1/s1
• InChIKey: BMWCEMJILHZWTD-VQCQRNETSA-N
• XLogP: 4.65
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide?

The IUPAC name of (2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide (CID 129261095) is (2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for (2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide?

The canonical SMILES for (2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide is Cc1cc([C@@H]2CC2C(=O)Nc2cc(-c3ccc(OC4CCOCC4)c(C)c3)ccn2)on1.

What is the InChIKey of (2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide?

The InChIKey is BMWCEMJILHZWTD-VQCQRNETSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-15-11-17(3-4-22(15)31-19-6-9-30-10-7-19)18-5-8-26-24(13-18)27-25(29)21-14-20(21)23-12-16(2)28-32-23/h3-5,8,11-13,19-21H,6-7,9-10,14H2,1-2H3,(H,26,27,29)/t20-,21?/m1/s1.

What are the key properties of (2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide?

(2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 129261095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).