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

C26H24N2O5 — CID 45106624

IUPACN-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nc(COc4ccccc4)c(C)o3)cc2)c(OC)c1
InChIInChI=1S/C26H24N2O5/c1-17-23(16-32-20-7-5-4-6-8-20)28-26(33-17)19-11-9-18(10-12-19)25(29)27-22-14-13-21(30-2)15-24(22)31-3/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyUAHJFMBFWKLQSJ-UHFFFAOYSA-N
MW444.49 g/mol
LogP5.50
Rot. Bonds8

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

N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 45106624) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
PubChem CID45106624
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC NameN-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nc(COc4ccccc4)c(C)o3)cc2)c(OC)c1
InChIInChI=1S/C26H24N2O5/c1-17-23(16-32-20-7-5-4-6-8-20)28-26(33-17)19-11-9-18(10-12-19)25(29)27-22-14-13-21(30-2)15-24(22)31-3/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyUAHJFMBFWKLQSJ-UHFFFAOYSA-N
XLogP5.50
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277670
methyl 2-[[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoyl]amino]benzoate
CID 46277609
4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-propan-2-ylbenzamide
CID 20916591
N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
CID 46277590
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
(2-hydroxy-4-methoxyphenyl)-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanone
CID 68911275
N-(3-chloro-2-methylphenyl)-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 46277613
N-[2,5-dimethoxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]benzamide
CID 16614507
4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)benzamide
CID 20916598
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
N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916680

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide (CID 45106624) is N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide is COc1ccc(NC(=O)c2ccc(-c3nc(COc4ccccc4)c(C)o3)cc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is UAHJFMBFWKLQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-17-23(16-32-20-7-5-4-6-8-20)28-26(33-17)19-11-9-18(10-12-19)25(29)27-22-14-13-21(30-2)15-24(22)31-3/h4-15H,16H2,1-3H3,(H,27,29).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide?
N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 444.49 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 45106624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).