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

C28H28N2O5 — CID 20916680

IUPACN-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3nc(COc4ccc(C)cc4)c(C)o3)cc2)c1OC
InChIInChI=1S/C28H28N2O5/c1-18-8-14-23(15-9-18)34-17-24-19(2)35-28(30-24)21-12-10-20(11-13-21)27(31)29-16-22-6-5-7-25(32-3)26(22)33-4/h5-15H,16-17H2,1-4H3,(H,29,31)
InChIKeyNTBMFWAJNWDBCN-UHFFFAOYSA-N
MW472.54 g/mol
LogP5.48
Rot. Bonds9

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

N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide (PubChem CID 20916680) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
PubChem CID20916680
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3nc(COc4ccc(C)cc4)c(C)o3)cc2)c1OC
InChIInChI=1S/C28H28N2O5/c1-18-8-14-23(15-9-18)34-17-24-19(2)35-28(30-24)21-12-10-20(11-13-21)27(31)29-16-22-6-5-7-25(32-3)26(22)33-4/h5-15H,16-17H2,1-4H3,(H,29,31)
InChIKeyNTBMFWAJNWDBCN-UHFFFAOYSA-N
XLogP5.48
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
CID 46277590
N-[(3-fluorophenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916684
N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916670
4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]-N-propan-2-ylbenzamide
CID 20916648
methyl 2-[[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoyl]amino]benzoate
CID 46277609
N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
CID 45106624
N-(3-chloro-2-methylphenyl)-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 46277613
4-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 20955421
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-(cyclohexen-1-yl)ethyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916665
2,6-dimethoxy-N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110641191

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide (CID 20916680) is N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide is COc1cccc(CNC(=O)c2ccc(-c3nc(COc4ccc(C)cc4)c(C)o3)cc2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide?
The InChIKey is NTBMFWAJNWDBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5/c1-18-8-14-23(15-9-18)34-17-24-19(2)35-28(30-24)21-12-10-20(11-13-21)27(31)29-16-22-6-5-7-25(32-3)26(22)33-4/h5-15H,16-17H2,1-4H3,(H,29,31).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide?
N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide has a molecular weight of 472.54 g/mol, XLogP of 5.48, 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-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 20916680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).