(4S)-4-tert-butyl-2-[3-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,6,7-trimethoxy-5-propan-2-ylnaphthalen-2-yl]-4,6,7-trimethoxy-8-propan-2-ylnaphthalen-2-yl]-4,5-dihydro-1,3-oxazole

C46H60N2O8 — CID 11093925

IUPAC(4S)-4-tert-butyl-2-[3-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,6,7-trimethoxy-5-propan-2-ylnaphthalen-2-yl]-4,6,7-trimethoxy-8-propan-2-ylnaphthalen-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCOc1cc2c(OC)c(-c3c(C4=N[C@@H](C(C)(C)C)CO4)cc4c(C(C)C)c(OC)c(OC)cc4c3OC)c(C3=N[C@@H](C(C)(C)C)CO3)cc2c(C(C)C)c1OC
InChIInChI=1S/C46H60N2O8/c1-23(2)35-25-17-29(43-47-33(21-55-43)45(5,6)7)37(39(51-13)27(25)19-31(49-11)41(35)53-15)38-30(44-48-34(22-56-44)46(8,9)10)18-26-28(40(38)52-14)20-32(50-12)42(54-16)36(26)24(3)4/h17-20,23-24,33-34H,21-22H2,1-16H3/t33-,34-/m1/s1
InChIKeyIENCHOIXHFQONN-KKLWWLSJSA-N
MW768.99 g/mol
LogP10.34
Rot. Bonds11

About (4S)-4-tert-butyl-2-[3-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,6,7-trimethoxy-5-propan-2-ylnaphthalen-2-yl]-4,6,7-trimethoxy-8-propan-2-ylnaphthalen-2-yl]-4,5-dihydro-1,3-oxazole

(4S)-4-tert-butyl-2-[3-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,6,7-trimethoxy-5-propan-2-ylnaphthalen-2-yl]-4,6,7-trimethoxy-8-propan-2-ylnaphthalen-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 11093925) has the molecular formula C46H60N2O8 and a molecular weight of 768.99 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-[3-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,6,7-trimethoxy-5-propan-2-ylnaphthalen-2-yl]-4,6,7-trimethoxy-8-propan-2-ylnaphthalen-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-[3-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,6,7-trimethoxy-5-propan-2-ylnaphthalen-2-yl]-4,6,7-trimethoxy-8-propan-2-ylnaphthalen-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID11093925
Molecular FormulaC46H60N2O8
Molecular Weight768.99 g/mol
Exact Mass768.43
IUPAC Name(4S)-4-tert-butyl-2-[3-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,6,7-trimethoxy-5-propan-2-ylnaphthalen-2-yl]-4,6,7-trimethoxy-8-propan-2-ylnaphthalen-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCOc1cc2c(OC)c(-c3c(C4=N[C@@H](C(C)(C)C)CO4)cc4c(C(C)C)c(OC)c(OC)cc4c3OC)c(C3=N[C@@H](C(C)(C)C)CO3)cc2c(C(C)C)c1OC
InChIInChI=1S/C46H60N2O8/c1-23(2)35-25-17-29(43-47-33(21-55-43)45(5,6)7)37(39(51-13)27(25)19-31(49-11)41(35)53-15)38-30(44-48-34(22-56-44)46(8,9)10)18-26-28(40(38)52-14)20-32(50-12)42(54-16)36(26)24(3)4/h17-20,23-24,33-34H,21-22H2,1-16H3/t33-,34-/m1/s1
InChIKeyIENCHOIXHFQONN-KKLWWLSJSA-N
XLogP10.34
TPSA98.56 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.99
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (4S)-4-tert-butyl-2-[3-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,6,7-trimethoxy-5-propan-2-ylnaphthalen-2-yl]-4,6,7-trimethoxy-8-propan-2-ylnaphthalen-2-yl]-4,5-dihydro-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2-[3-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,6,7-trimethoxy-5-propan-2-ylnaphthalen-2-yl]-4,6,7-trimethoxy-8-propan-2-ylnaphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-tert-butyl-2-[3-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,6,7-trimethoxy-5-propan-2-ylnaphthalen-2-yl]-4,6,7-trimethoxy-8-propan-2-ylnaphthalen-2-yl]-4,5-dihydro-1,3-oxazole (CID 11093925) is (4S)-4-tert-butyl-2-[3-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,6,7-trimethoxy-5-propan-2-ylnaphthalen-2-yl]-4,6,7-trimethoxy-8-propan-2-ylnaphthalen-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-tert-butyl-2-[3-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,6,7-trimethoxy-5-propan-2-ylnaphthalen-2-yl]-4,6,7-trimethoxy-8-propan-2-ylnaphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-tert-butyl-2-[3-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,6,7-trimethoxy-5-propan-2-ylnaphthalen-2-yl]-4,6,7-trimethoxy-8-propan-2-ylnaphthalen-2-yl]-4,5-dihydro-1,3-oxazole is COc1cc2c(OC)c(-c3c(C4=N[C@@H](C(C)(C)C)CO4)cc4c(C(C)C)c(OC)c(OC)cc4c3OC)c(C3=N[C@@H](C(C)(C)C)CO3)cc2c(C(C)C)c1OC.
What is the InChIKey of (4S)-4-tert-butyl-2-[3-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,6,7-trimethoxy-5-propan-2-ylnaphthalen-2-yl]-4,6,7-trimethoxy-8-propan-2-ylnaphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is IENCHOIXHFQONN-KKLWWLSJSA-N. The full InChI is InChI=1S/C46H60N2O8/c1-23(2)35-25-17-29(43-47-33(21-55-43)45(5,6)7)37(39(51-13)27(25)19-31(49-11)41(35)53-15)38-30(44-48-34(22-56-44)46(8,9)10)18-26-28(40(38)52-14)20-32(50-12)42(54-16)36(26)24(3)4/h17-20,23-24,33-34H,21-22H2,1-16H3/t33-,34-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2-[3-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,6,7-trimethoxy-5-propan-2-ylnaphthalen-2-yl]-4,6,7-trimethoxy-8-propan-2-ylnaphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-[3-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,6,7-trimethoxy-5-propan-2-ylnaphthalen-2-yl]-4,6,7-trimethoxy-8-propan-2-ylnaphthalen-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 768.99 g/mol, XLogP of 10.34, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-2-[3-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,6,7-trimethoxy-5-propan-2-ylnaphthalen-2-yl]-4,6,7-trimethoxy-8-propan-2-ylnaphthalen-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11093925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).