methoxymethane;methylsulfanylmethane;methylsulfinylmethane;1,3-oxazole;propan-2-one;2H-pyrrole;3H-pyrrole;pyrrol-2-one;pyrrol-3-one;1H-1,2,4-triazole

C30H46N8O6S2 — CID 165045703

About methoxymethane;methylsulfanylmethane;methylsulfinylmethane;1,3-oxazole;propan-2-one;2H-pyrrole;3H-pyrrole;pyrrol-2-one;pyrrol-3-one;1H-1,2,4-triazole

methoxymethane;methylsulfanylmethane;methylsulfinylmethane;1,3-oxazole;propan-2-one;2H-pyrrole;3H-pyrrole;pyrrol-2-one;pyrrol-3-one;1H-1,2,4-triazole (PubChem CID 165045703) has the molecular formula C30H46N8O6S2 and a molecular weight of 678.88 g/mol. Its IUPAC name is methoxymethane;methylsulfanylmethane;methylsulfinylmethane;1,3-oxazole;propan-2-one;2H-pyrrole;3H-pyrrole;pyrrol-2-one;pyrrol-3-one;1H-1,2,4-triazole.

Molecular Properties

• Compound Name: methoxymethane;methylsulfanylmethane;methylsulfinylmethane;1,3-oxazole;propan-2-one;2H-pyrrole;3H-pyrrole;pyrrol-2-one;pyrrol-3-one;1H-1,2,4-triazole
• PubChem CID: 165045703
• Molecular Formula: C30H46N8O6S2
• Molecular Weight: 678.88 g/mol
• Exact Mass: 678.30
• IUPAC Name: methoxymethane;methylsulfanylmethane;methylsulfinylmethane;1,3-oxazole;propan-2-one;2H-pyrrole;3H-pyrrole;pyrrol-2-one;pyrrol-3-one;1H-1,2,4-triazole
• SMILES: C1=CCN=C1.C1=CN=CC1.CC(C)=O.COC.CS(C)=O.CSC.O=C1C=CC=N1.O=C1C=CN=C1.c1cocn1.c1nc[nH]n1
• InChI: InChI=1S/2C4H3NO.2C4H5N.C3H3NO.C3H6O.C2H3N3.C2H6OS.C2H6O.C2H6S/c6-4-1-2-5-3-4;6-4-2-1-3-5-4;2*1-2-4-5-3-1;1-2-5-3-4-1;1-3(2)4;1-3-2-5-4-1;1-4(2)3;2*1-3-2/h2*1-3H;1,3-4H,2H2;1-3H,4H2;1-3H;1-2H3;1-2H,(H,3,4,5);1-2H3;2*1-2H3
• InChIKey: OVXCOLLMZIUKIA-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 194.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	678.88
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of methoxymethane;methylsulfanylmethane;methylsulfinylmethane;1,3-oxazole;propan-2-one;2H-pyrrole;3H-pyrrole;pyrrol-2-one;pyrrol-3-one;1H-1,2,4-triazole?

The IUPAC name of methoxymethane;methylsulfanylmethane;methylsulfinylmethane;1,3-oxazole;propan-2-one;2H-pyrrole;3H-pyrrole;pyrrol-2-one;pyrrol-3-one;1H-1,2,4-triazole (CID 165045703) is methoxymethane;methylsulfanylmethane;methylsulfinylmethane;1,3-oxazole;propan-2-one;2H-pyrrole;3H-pyrrole;pyrrol-2-one;pyrrol-3-one;1H-1,2,4-triazole.

What is the SMILES notation for methoxymethane;methylsulfanylmethane;methylsulfinylmethane;1,3-oxazole;propan-2-one;2H-pyrrole;3H-pyrrole;pyrrol-2-one;pyrrol-3-one;1H-1,2,4-triazole?

The canonical SMILES for methoxymethane;methylsulfanylmethane;methylsulfinylmethane;1,3-oxazole;propan-2-one;2H-pyrrole;3H-pyrrole;pyrrol-2-one;pyrrol-3-one;1H-1,2,4-triazole is C1=CCN=C1.C1=CN=CC1.CC(C)=O.COC.CS(C)=O.CSC.O=C1C=CC=N1.O=C1C=CN=C1.c1cocn1.c1nc[nH]n1.

What is the InChIKey of methoxymethane;methylsulfanylmethane;methylsulfinylmethane;1,3-oxazole;propan-2-one;2H-pyrrole;3H-pyrrole;pyrrol-2-one;pyrrol-3-one;1H-1,2,4-triazole?

The InChIKey is OVXCOLLMZIUKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H3NO.2C4H5N.C3H3NO.C3H6O.C2H3N3.C2H6OS.C2H6O.C2H6S/c6-4-1-2-5-3-4;6-4-2-1-3-5-4;2*1-2-4-5-3-1;1-2-5-3-4-1;1-3(2)4;1-3-2-5-4-1;1-4(2)3;2*1-3-2/h2*1-3H;1,3-4H,2H2;1-3H,4H2;1-3H;1-2H3;1-2H,(H,3,4,5);1-2H3;2*1-2H3.

What are the key properties of methoxymethane;methylsulfanylmethane;methylsulfinylmethane;1,3-oxazole;propan-2-one;2H-pyrrole;3H-pyrrole;pyrrol-2-one;pyrrol-3-one;1H-1,2,4-triazole?

methoxymethane;methylsulfanylmethane;methylsulfinylmethane;1,3-oxazole;propan-2-one;2H-pyrrole;3H-pyrrole;pyrrol-2-one;pyrrol-3-one;1H-1,2,4-triazole has a molecular weight of 678.88 g/mol, XLogP of 4.22, 0 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for methoxymethane;methylsulfanylmethane;methylsulfinylmethane;1,3-oxazole;propan-2-one;2H-pyrrole;3H-pyrrole;pyrrol-2-one;pyrrol-3-one;1H-1,2,4-triazole is sourced from PubChem (CID 165045703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).