methyl (2R)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-6-carboxylate

C30H24Cl3NO5 — CID 130319369

About methyl (2R)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-6-carboxylate

methyl (2R)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-6-carboxylate (PubChem CID 130319369) has the molecular formula C30H24Cl3NO5 and a molecular weight of 584.88 g/mol. Its IUPAC name is methyl (2R)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-6-carboxylate.

Molecular Properties

• Compound Name: methyl (2R)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-6-carboxylate
• PubChem CID: 130319369
• Molecular Formula: C30H24Cl3NO5
• Molecular Weight: 584.88 g/mol
• Exact Mass: 583.07
• IUPAC Name: methyl (2R)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-6-carboxylate
• SMILES: COC(=O)c1ccc2c(c1)CC[C@H](c1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc1Cl)O2
• InChI: InChI=1S/C30H24Cl3NO5/c1-36-30(35)18-8-11-25-17(13-18)7-12-26(38-25)20-10-9-19(14-24(20)33)37-15-21-28(34-39-29(21)16-5-6-16)27-22(31)3-2-4-23(27)32/h2-4,8-11,13-14,16,26H,5-7,12,15H2,1H3/t26-/m1/s1
• InChIKey: JTNUTRXTRLXMER-AREMUKBSSA-N
• XLogP: 8.61
• TPSA: 70.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.88
LogP ≤ 5	8.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-6-carboxylate?

The IUPAC name of methyl (2R)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-6-carboxylate (CID 130319369) is methyl (2R)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-6-carboxylate.

What is the SMILES notation for methyl (2R)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-6-carboxylate?

The canonical SMILES for methyl (2R)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-6-carboxylate is COC(=O)c1ccc2c(c1)CC[C@H](c1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc1Cl)O2.

What is the InChIKey of methyl (2R)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-6-carboxylate?

The InChIKey is JTNUTRXTRLXMER-AREMUKBSSA-N. The full InChI is InChI=1S/C30H24Cl3NO5/c1-36-30(35)18-8-11-25-17(13-18)7-12-26(38-25)20-10-9-19(14-24(20)33)37-15-21-28(34-39-29(21)16-5-6-16)27-22(31)3-2-4-23(27)32/h2-4,8-11,13-14,16,26H,5-7,12,15H2,1H3/t26-/m1/s1.

What are the key properties of methyl (2R)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-6-carboxylate?

methyl (2R)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-6-carboxylate has a molecular weight of 584.88 g/mol, XLogP of 8.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2R)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3,4-dihydro-2H-chromene-6-carboxylate is sourced from PubChem (CID 130319369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).