(Z)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(3-methyl-4-pyridinyl)prop-2-enamide

C25H21N3O2 — CID 69286218

About (Z)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(3-methyl-4-pyridinyl)prop-2-enamide

(Z)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(3-methyl-4-pyridinyl)prop-2-enamide (PubChem CID 69286218) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is (Z)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(3-methyl-4-pyridinyl)prop-2-enamide.

Molecular Properties

• Compound Name: (Z)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(3-methyl-4-pyridinyl)prop-2-enamide
• PubChem CID: 69286218
• Molecular Formula: C25H21N3O2
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.16
• IUPAC Name: (Z)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(3-methyl-4-pyridinyl)prop-2-enamide
• SMILES: Cc1cnccc1/C=C\C(=O)Nc1ccc(-c2cc(-c3ncco3)ccc2C)cc1
• InChI: InChI=1S/C25H21N3O2/c1-17-3-4-21(25-27-13-14-30-25)15-23(17)20-5-8-22(9-6-20)28-24(29)10-7-19-11-12-26-16-18(19)2/h3-16H,1-2H3,(H,28,29)/b10-7-
• InChIKey: ZUOZLXPEOXOPHQ-YFHOEESVSA-N
• XLogP: 5.67
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(3-methyl-4-pyridinyl)prop-2-enamide?

The IUPAC name of (Z)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(3-methyl-4-pyridinyl)prop-2-enamide (CID 69286218) is (Z)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(3-methyl-4-pyridinyl)prop-2-enamide.

What is the SMILES notation for (Z)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(3-methyl-4-pyridinyl)prop-2-enamide?

The canonical SMILES for (Z)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(3-methyl-4-pyridinyl)prop-2-enamide is Cc1cnccc1/C=C\C(=O)Nc1ccc(-c2cc(-c3ncco3)ccc2C)cc1.

What is the InChIKey of (Z)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(3-methyl-4-pyridinyl)prop-2-enamide?

The InChIKey is ZUOZLXPEOXOPHQ-YFHOEESVSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-17-3-4-21(25-27-13-14-30-25)15-23(17)20-5-8-22(9-6-20)28-24(29)10-7-19-11-12-26-16-18(19)2/h3-16H,1-2H3,(H,28,29)/b10-7-.

What are the key properties of (Z)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(3-methyl-4-pyridinyl)prop-2-enamide?

(Z)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(3-methyl-4-pyridinyl)prop-2-enamide has a molecular weight of 395.46 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(3-methyl-4-pyridinyl)prop-2-enamide is sourced from PubChem (CID 69286218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).