N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C25H28N2O6 — CID 93143290

IUPACN-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)N(Cc2cc(-c3cc(OC)ccc3OC)on2)C[C@@H]2CCCO2)c1
InChIInChI=1S/C25H28N2O6/c1-29-19-7-4-6-17(12-19)25(28)27(16-21-8-5-11-32-21)15-18-13-24(33-26-18)22-14-20(30-2)9-10-23(22)31-3/h4,6-7,9-10,12-14,21H,5,8,11,15-16H2,1-3H3/t21-/m0/s1
InChIKeyBBDMSFSFXOAXMI-NRFANRHFSA-N
MW452.51 g/mol
LogP4.19
Rot. Bonds9

About N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide

N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 93143290) has the molecular formula C25H28N2O6 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID93143290
Molecular FormulaC25H28N2O6
Molecular Weight452.51 g/mol
Exact Mass452.19
IUPAC NameN-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)N(Cc2cc(-c3cc(OC)ccc3OC)on2)C[C@@H]2CCCO2)c1
InChIInChI=1S/C25H28N2O6/c1-29-19-7-4-6-17(12-19)25(28)27(16-21-8-5-11-32-21)15-18-13-24(33-26-18)22-14-20(30-2)9-10-23(22)31-3/h4,6-7,9-10,12-14,21H,5,8,11,15-16H2,1-3H3/t21-/m0/s1
InChIKeyBBDMSFSFXOAXMI-NRFANRHFSA-N
XLogP4.19
TPSA83.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93143284
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93143277
4-chloro-N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93143286
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
3,5-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 93019656
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclopentanecarboxamide
CID 46142194
5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide
CID 93143813
[4-[[(3-methoxybenzoyl)-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl] methanesulfonate
CID 7482553
[4-[[(3-methoxybenzoyl)-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate
CID 3364306
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26352971
3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 131912029
5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 93143825

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 93143290) is N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide is COc1cccc(C(=O)N(Cc2cc(-c3cc(OC)ccc3OC)on2)C[C@@H]2CCCO2)c1.
What is the InChIKey of N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is BBDMSFSFXOAXMI-NRFANRHFSA-N. The full InChI is InChI=1S/C25H28N2O6/c1-29-19-7-4-6-17(12-19)25(28)27(16-21-8-5-11-32-21)15-18-13-24(33-26-18)22-14-20(30-2)9-10-23(22)31-3/h4,6-7,9-10,12-14,21H,5,8,11,15-16H2,1-3H3/t21-/m0/s1.
What are the key properties of N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 452.51 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 93143290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).