(Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enenitrile

C23H13N3O2S — CID 92932690

About (Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enenitrile

(Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enenitrile (PubChem CID 92932690) has the molecular formula C23H13N3O2S and a molecular weight of 395.44 g/mol. Its IUPAC name is (Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enenitrile.

Molecular Properties

• Compound Name: (Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enenitrile
• PubChem CID: 92932690
• Molecular Formula: C23H13N3O2S
• Molecular Weight: 395.44 g/mol
• Exact Mass: 395.07
• IUPAC Name: (Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enenitrile
• SMILES: N#C/C(=C/c1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2ccco2)cs1
• InChI: InChI=1S/C23H13N3O2S/c24-13-17(23-25-20(14-29-23)21-7-4-10-27-21)11-15-8-9-19-18(12-15)22(28-26-19)16-5-2-1-3-6-16/h1-12,14H/b17-11-
• InChIKey: LFWPSMBRUNEOJU-BOPFTXTBSA-N
• XLogP: 6.28
• TPSA: 75.85 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.44
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enenitrile?

The IUPAC name of (Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enenitrile (CID 92932690) is (Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enenitrile.

What is the SMILES notation for (Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enenitrile?

The canonical SMILES for (Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enenitrile is N#C/C(=C/c1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2ccco2)cs1.

What is the InChIKey of (Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enenitrile?

The InChIKey is LFWPSMBRUNEOJU-BOPFTXTBSA-N. The full InChI is InChI=1S/C23H13N3O2S/c24-13-17(23-25-20(14-29-23)21-7-4-10-27-21)11-15-8-9-19-18(12-15)22(28-26-19)16-5-2-1-3-6-16/h1-12,14H/b17-11-.

What are the key properties of (Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enenitrile?

(Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enenitrile has a molecular weight of 395.44 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enenitrile is sourced from PubChem (CID 92932690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).