2-(furan-2-yl)-1,3-oxazole;2-(1H-imidazol-2-yl)-1,3-thiazole;1H-pyrrole;2-(1H-pyrrol-2-yl)-1H-imidazole;2-(1,3-thiazol-2-yl)-1,3-oxazole

C30H26N10O3S2 — CID 157292818

About 2-(furan-2-yl)-1,3-oxazole;2-(1H-imidazol-2-yl)-1,3-thiazole;1H-pyrrole;2-(1H-pyrrol-2-yl)-1H-imidazole;2-(1,3-thiazol-2-yl)-1,3-oxazole

2-(furan-2-yl)-1,3-oxazole;2-(1H-imidazol-2-yl)-1,3-thiazole;1H-pyrrole;2-(1H-pyrrol-2-yl)-1H-imidazole;2-(1,3-thiazol-2-yl)-1,3-oxazole (PubChem CID 157292818) has the molecular formula C30H26N10O3S2 and a molecular weight of 638.74 g/mol. Its IUPAC name is 2-(furan-2-yl)-1,3-oxazole;2-(1H-imidazol-2-yl)-1,3-thiazole;1H-pyrrole;2-(1H-pyrrol-2-yl)-1H-imidazole;2-(1,3-thiazol-2-yl)-1,3-oxazole.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-1,3-oxazole;2-(1H-imidazol-2-yl)-1,3-thiazole;1H-pyrrole;2-(1H-pyrrol-2-yl)-1H-imidazole;2-(1,3-thiazol-2-yl)-1,3-oxazole
• PubChem CID: 157292818
• Molecular Formula: C30H26N10O3S2
• Molecular Weight: 638.74 g/mol
• Exact Mass: 638.16
• IUPAC Name: 2-(furan-2-yl)-1,3-oxazole;2-(1H-imidazol-2-yl)-1,3-thiazole;1H-pyrrole;2-(1H-pyrrol-2-yl)-1H-imidazole;2-(1,3-thiazol-2-yl)-1,3-oxazole
• SMILES: c1c[nH]c(-c2ncc[nH]2)c1.c1c[nH]c(-c2nccs2)n1.c1cc[nH]c1.c1coc(-c2ncco2)c1.c1coc(-c2nccs2)n1
• InChI: InChI=1S/C7H7N3.C7H5NO2.C6H5N3S.C6H4N2OS.C4H5N/c1-2-6(8-3-1)7-9-4-5-10-7;1-2-6(9-4-1)7-8-3-5-10-7;1-2-8-5(7-1)6-9-3-4-10-6;1-3-9-5(7-1)6-8-2-4-10-6;1-2-4-5-3-1/h1-5,8H,(H,9,10);1-5H;1-4H,(H,7,8);1-4H;1-5H
• InChIKey: BAZOVHKKUSVFTR-UHFFFAOYSA-N
• XLogP: 7.69
• TPSA: 179.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	638.74
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1,3-oxazole;2-(1H-imidazol-2-yl)-1,3-thiazole;1H-pyrrole;2-(1H-pyrrol-2-yl)-1H-imidazole;2-(1,3-thiazol-2-yl)-1,3-oxazole?

The IUPAC name of 2-(furan-2-yl)-1,3-oxazole;2-(1H-imidazol-2-yl)-1,3-thiazole;1H-pyrrole;2-(1H-pyrrol-2-yl)-1H-imidazole;2-(1,3-thiazol-2-yl)-1,3-oxazole (CID 157292818) is 2-(furan-2-yl)-1,3-oxazole;2-(1H-imidazol-2-yl)-1,3-thiazole;1H-pyrrole;2-(1H-pyrrol-2-yl)-1H-imidazole;2-(1,3-thiazol-2-yl)-1,3-oxazole.

What is the SMILES notation for 2-(furan-2-yl)-1,3-oxazole;2-(1H-imidazol-2-yl)-1,3-thiazole;1H-pyrrole;2-(1H-pyrrol-2-yl)-1H-imidazole;2-(1,3-thiazol-2-yl)-1,3-oxazole?

The canonical SMILES for 2-(furan-2-yl)-1,3-oxazole;2-(1H-imidazol-2-yl)-1,3-thiazole;1H-pyrrole;2-(1H-pyrrol-2-yl)-1H-imidazole;2-(1,3-thiazol-2-yl)-1,3-oxazole is c1c[nH]c(-c2ncc[nH]2)c1.c1c[nH]c(-c2nccs2)n1.c1cc[nH]c1.c1coc(-c2ncco2)c1.c1coc(-c2nccs2)n1.

What is the InChIKey of 2-(furan-2-yl)-1,3-oxazole;2-(1H-imidazol-2-yl)-1,3-thiazole;1H-pyrrole;2-(1H-pyrrol-2-yl)-1H-imidazole;2-(1,3-thiazol-2-yl)-1,3-oxazole?

The InChIKey is BAZOVHKKUSVFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.C7H5NO2.C6H5N3S.C6H4N2OS.C4H5N/c1-2-6(8-3-1)7-9-4-5-10-7;1-2-6(9-4-1)7-8-3-5-10-7;1-2-8-5(7-1)6-9-3-4-10-6;1-3-9-5(7-1)6-8-2-4-10-6;1-2-4-5-3-1/h1-5,8H,(H,9,10);1-5H;1-4H,(H,7,8);1-4H;1-5H.

What are the key properties of 2-(furan-2-yl)-1,3-oxazole;2-(1H-imidazol-2-yl)-1,3-thiazole;1H-pyrrole;2-(1H-pyrrol-2-yl)-1H-imidazole;2-(1,3-thiazol-2-yl)-1,3-oxazole?

2-(furan-2-yl)-1,3-oxazole;2-(1H-imidazol-2-yl)-1,3-thiazole;1H-pyrrole;2-(1H-pyrrol-2-yl)-1H-imidazole;2-(1,3-thiazol-2-yl)-1,3-oxazole has a molecular weight of 638.74 g/mol, XLogP of 7.69, 4 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-1,3-oxazole;2-(1H-imidazol-2-yl)-1,3-thiazole;1H-pyrrole;2-(1H-pyrrol-2-yl)-1H-imidazole;2-(1,3-thiazol-2-yl)-1,3-oxazole is sourced from PubChem (CID 157292818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).