4,5-dihydro-1,3-oxazole;furan;1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;thiophene;2H-triazole

C40H46N20O8S2 — CID 158471770

About 4,5-dihydro-1,3-oxazole;furan;1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;thiophene;2H-triazole

4,5-dihydro-1,3-oxazole;furan;1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;thiophene;2H-triazole (PubChem CID 158471770) has the molecular formula C40H46N20O8S2 and a molecular weight of 999.07 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazole;furan;1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;thiophene;2H-triazole.

Molecular Properties

• Compound Name: 4,5-dihydro-1,3-oxazole;furan;1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;thiophene;2H-triazole
• PubChem CID: 158471770
• Molecular Formula: C40H46N20O8S2
• Molecular Weight: 999.07 g/mol
• Exact Mass: 998.32
• IUPAC Name: 4,5-dihydro-1,3-oxazole;furan;1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;thiophene;2H-triazole
• SMILES: C1=NCCO1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnoc1.c1cnon1.c1cnsc1.c1cocn1.c1conn1.c1ncon1.c1nnco1
• InChI: InChI=1S/C4H5N.C4H4O.C4H4S.2C3H4N2.C3H5NO.2C3H3NO.C3H3NS.C2H3N3.4C2H2N2O/c3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;3*1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1/h1-5H;2*1-4H;2*1-3H,(H,4,5);3H,1-2H2;3*1-3H;1-2H,(H,3,4,5);4*1-2H
• InChIKey: HGKWKDMYBMNOQB-UHFFFAOYSA-N
• XLogP: 7.48
• TPSA: 370.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	999.07
LogP ≤ 5	7.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-oxazole;furan;1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;thiophene;2H-triazole?

The IUPAC name of 4,5-dihydro-1,3-oxazole;furan;1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;thiophene;2H-triazole (CID 158471770) is 4,5-dihydro-1,3-oxazole;furan;1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;thiophene;2H-triazole.

What is the SMILES notation for 4,5-dihydro-1,3-oxazole;furan;1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;thiophene;2H-triazole?

The canonical SMILES for 4,5-dihydro-1,3-oxazole;furan;1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;thiophene;2H-triazole is C1=NCCO1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnoc1.c1cnon1.c1cnsc1.c1cocn1.c1conn1.c1ncon1.c1nnco1.

What is the InChIKey of 4,5-dihydro-1,3-oxazole;furan;1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;thiophene;2H-triazole?

The InChIKey is HGKWKDMYBMNOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C4H4O.C4H4S.2C3H4N2.C3H5NO.2C3H3NO.C3H3NS.C2H3N3.4C2H2N2O/c3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;3*1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1/h1-5H;2*1-4H;2*1-3H,(H,4,5);3H,1-2H2;3*1-3H;1-2H,(H,3,4,5);4*1-2H.

What are the key properties of 4,5-dihydro-1,3-oxazole;furan;1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;thiophene;2H-triazole?

4,5-dihydro-1,3-oxazole;furan;1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;thiophene;2H-triazole has a molecular weight of 999.07 g/mol, XLogP of 7.48, 0 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dihydro-1,3-oxazole;furan;1H-imidazole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;thiophene;2H-triazole is sourced from PubChem (CID 158471770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).