3,5-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide

C27H32N2O8 — CID 93019656

IUPAC3,5-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2cc(-c3cc(OC)c(OC)c(OC)c3)on2)C[C@H]2CCCO2)c1
InChIInChI=1S/C27H32N2O8/c1-31-21-9-18(10-22(14-21)32-2)27(30)29(16-20-7-6-8-36-20)15-19-13-23(37-28-19)17-11-24(33-3)26(35-5)25(12-17)34-4/h9-14,20H,6-8,15-16H2,1-5H3/t20-/m1/s1
InChIKeyFENLDEMAOYRXQY-HXUWFJFHSA-N
MW512.56 g/mol
LogP4.21
Rot. Bonds11

About 3,5-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide

3,5-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide (PubChem CID 93019656) has the molecular formula C27H32N2O8 and a molecular weight of 512.56 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
PubChem CID93019656
Molecular FormulaC27H32N2O8
Molecular Weight512.56 g/mol
Exact Mass512.22
IUPAC Name3,5-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2cc(-c3cc(OC)c(OC)c(OC)c3)on2)C[C@H]2CCCO2)c1
InChIInChI=1S/C27H32N2O8/c1-31-21-9-18(10-22(14-21)32-2)27(30)29(16-20-7-6-8-36-20)15-19-13-23(37-28-19)17-11-24(33-3)26(35-5)25(12-17)34-4/h9-14,20H,6-8,15-16H2,1-5H3/t20-/m1/s1
InChIKeyFENLDEMAOYRXQY-HXUWFJFHSA-N
XLogP4.21
TPSA101.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.56
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(2R)-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]propanamide
CID 93019676
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93143277
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93143290
4-chloro-N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93143286
5-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 42280222
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93143284
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclopentanecarboxamide
CID 46142194
4-nitro-N-[[(2R)-oxolan-2-yl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzenesulfonamide
CID 98425371
3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 51121582
N-[(4-methoxyphenyl)methyl]-2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 99940692
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide (CID 93019656) is 3,5-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide is COc1cc(OC)cc(C(=O)N(Cc2cc(-c3cc(OC)c(OC)c(OC)c3)on2)C[C@H]2CCCO2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The InChIKey is FENLDEMAOYRXQY-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H32N2O8/c1-31-21-9-18(10-22(14-21)32-2)27(30)29(16-20-7-6-8-36-20)15-19-13-23(37-28-19)17-11-24(33-3)26(35-5)25(12-17)34-4/h9-14,20H,6-8,15-16H2,1-5H3/t20-/m1/s1.
What are the key properties of 3,5-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
3,5-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide has a molecular weight of 512.56 g/mol, XLogP of 4.21, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide is sourced from PubChem (CID 93019656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).