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

C27H26N2O5 — CID 46277590

IUPACN-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3nc(COc4ccccc4)c(C)o3)cc2)c1OC
InChIInChI=1S/C27H26N2O5/c1-18-23(17-33-22-9-5-4-6-10-22)29-27(34-18)20-14-12-19(13-15-20)26(30)28-16-21-8-7-11-24(31-2)25(21)32-3/h4-15H,16-17H2,1-3H3,(H,28,30)
InChIKeyUYZXBEUKLGEOPC-UHFFFAOYSA-N
MW458.51 g/mol
LogP5.18
Rot. Bonds9

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

N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 46277590) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
PubChem CID46277590
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3nc(COc4ccccc4)c(C)o3)cc2)c1OC
InChIInChI=1S/C27H26N2O5/c1-18-23(17-33-22-9-5-4-6-10-22)29-27(34-18)20-14-12-19(13-15-20)26(30)28-16-21-8-7-11-24(31-2)25(21)32-3/h4-15H,16-17H2,1-3H3,(H,28,30)
InChIKeyUYZXBEUKLGEOPC-UHFFFAOYSA-N
XLogP5.18
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.51
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916680
4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)benzamide
CID 20916598
4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-propan-2-ylbenzamide
CID 20916591
N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
CID 45106624
N-[(3-fluorophenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916684
N-[(2-ethoxyphenyl)methyl]-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
CID 20916833
4-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 20955421
N-benzyl-4-[4-[(3-methoxyphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide
CID 71471936
N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916670
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415241
4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid
CID 53213294
4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]-N-propan-2-ylbenzamide
CID 20916648

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide (CID 46277590) is N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide is COc1cccc(CNC(=O)c2ccc(-c3nc(COc4ccccc4)c(C)o3)cc2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is UYZXBEUKLGEOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c1-18-23(17-33-22-9-5-4-6-10-22)29-27(34-18)20-14-12-19(13-15-20)26(30)28-16-21-8-7-11-24(31-2)25(21)32-3/h4-15H,16-17H2,1-3H3,(H,28,30).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide?
N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 458.51 g/mol, XLogP of 5.18, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 46277590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).