N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-methylbenzamide

C21H22N2O5 — CID 42823001

IUPACN-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2cc(-c3cc(OC)ccc3OC)on2)cc1
InChIInChI=1S/C21H22N2O5/c1-23(21(24)14-5-7-16(25-2)8-6-14)13-15-11-20(28-22-15)18-12-17(26-3)9-10-19(18)27-4/h5-12H,13H2,1-4H3
InChIKeyIVEXIWCMLSTNPB-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.64
Rot. Bonds7

About N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-methylbenzamide

N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-methylbenzamide (PubChem CID 42823001) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-methylbenzamide
PubChem CID42823001
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2cc(-c3cc(OC)ccc3OC)on2)cc1
InChIInChI=1S/C21H22N2O5/c1-23(21(24)14-5-7-16(25-2)8-6-14)13-15-11-20(28-22-15)18-12-17(26-3)9-10-19(18)27-4/h5-12H,13H2,1-4H3
InChIKeyIVEXIWCMLSTNPB-UHFFFAOYSA-N
XLogP3.64
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-methylacetamide
CID 42823000
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93143277
5-(2,5-dimethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 48987740
4-chloro-N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93143286
N-methyl-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070569
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93143290
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93143284
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070232
4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 86929112
3,4-dimethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 110718140
5-(2,5-dimethoxyphenyl)-N-[(2S)-1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide
CID 93143982

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-methylbenzamide?
The IUPAC name of N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-methylbenzamide (CID 42823001) is N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)Cc2cc(-c3cc(OC)ccc3OC)on2)cc1.
What is the InChIKey of N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-methylbenzamide?
The InChIKey is IVEXIWCMLSTNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-23(21(24)14-5-7-16(25-2)8-6-14)13-15-11-20(28-22-15)18-12-17(26-3)9-10-19(18)27-4/h5-12H,13H2,1-4H3.
What are the key properties of N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-methylbenzamide?
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-methylbenzamide has a molecular weight of 382.42 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 42823001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).