2-[(3aR)-5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-4-fluoro-6,7-dihydro-1,3-benzothiazole-6-carbaldehyde;methoxymethane

C30H32Cl2FN3O4S — CID 142312733

About 2-[(3aR)-5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-4-fluoro-6,7-dihydro-1,3-benzothiazole-6-carbaldehyde;methoxymethane

2-[(3aR)-5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-4-fluoro-6,7-dihydro-1,3-benzothiazole-6-carbaldehyde;methoxymethane (PubChem CID 142312733) has the molecular formula C30H32Cl2FN3O4S and a molecular weight of 620.57 g/mol. Its IUPAC name is 2-[(3aR)-5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-4-fluoro-6,7-dihydro-1,3-benzothiazole-6-carbaldehyde;methoxymethane.

Molecular Properties

• Compound Name: 2-[(3aR)-5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-4-fluoro-6,7-dihydro-1,3-benzothiazole-6-carbaldehyde;methoxymethane
• PubChem CID: 142312733
• Molecular Formula: C30H32Cl2FN3O4S
• Molecular Weight: 620.57 g/mol
• Exact Mass: 619.15
• IUPAC Name: 2-[(3aR)-5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-4-fluoro-6,7-dihydro-1,3-benzothiazole-6-carbaldehyde;methoxymethane
• SMILES: COC.O=CC1C=C(F)c2nc(N3CC4CC(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)C[C@H]4C3)sc2C1
• InChI: InChI=1S/C28H26Cl2FN3O3S.C2H6O/c29-20-2-1-3-21(30)24(20)25-19(27(37-33-25)15-4-5-15)13-36-18-8-16-10-34(11-17(16)9-18)28-32-26-22(31)6-14(12-35)7-23(26)38-28;1-3-2/h1-3,6,12,14-18H,4-5,7-11,13H2;1-2H3/t14?,16-,17?,18?;/m0./s1
• InChIKey: DETKJMICMLZXLF-UPOWOXQNSA-N
• XLogP: 7.36
• TPSA: 77.69 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.57
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR)-5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-4-fluoro-6,7-dihydro-1,3-benzothiazole-6-carbaldehyde;methoxymethane?

The IUPAC name of 2-[(3aR)-5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-4-fluoro-6,7-dihydro-1,3-benzothiazole-6-carbaldehyde;methoxymethane (CID 142312733) is 2-[(3aR)-5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-4-fluoro-6,7-dihydro-1,3-benzothiazole-6-carbaldehyde;methoxymethane.

What is the SMILES notation for 2-[(3aR)-5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-4-fluoro-6,7-dihydro-1,3-benzothiazole-6-carbaldehyde;methoxymethane?

The canonical SMILES for 2-[(3aR)-5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-4-fluoro-6,7-dihydro-1,3-benzothiazole-6-carbaldehyde;methoxymethane is COC.O=CC1C=C(F)c2nc(N3CC4CC(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)C[C@H]4C3)sc2C1.

What is the InChIKey of 2-[(3aR)-5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-4-fluoro-6,7-dihydro-1,3-benzothiazole-6-carbaldehyde;methoxymethane?

The InChIKey is DETKJMICMLZXLF-UPOWOXQNSA-N. The full InChI is InChI=1S/C28H26Cl2FN3O3S.C2H6O/c29-20-2-1-3-21(30)24(20)25-19(27(37-33-25)15-4-5-15)13-36-18-8-16-10-34(11-17(16)9-18)28-32-26-22(31)6-14(12-35)7-23(26)38-28;1-3-2/h1-3,6,12,14-18H,4-5,7-11,13H2;1-2H3/t14?,16-,17?,18?;/m0./s1.

What are the key properties of 2-[(3aR)-5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-4-fluoro-6,7-dihydro-1,3-benzothiazole-6-carbaldehyde;methoxymethane?

2-[(3aR)-5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-4-fluoro-6,7-dihydro-1,3-benzothiazole-6-carbaldehyde;methoxymethane has a molecular weight of 620.57 g/mol, XLogP of 7.36, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3aR)-5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-4-fluoro-6,7-dihydro-1,3-benzothiazole-6-carbaldehyde;methoxymethane is sourced from PubChem (CID 142312733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).