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

C20H20N2O3 — CID 20916670

IUPACN-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
SMILESCNC(=O)c1ccc(-c2nc(COc3ccc(C)cc3)c(C)o2)cc1
InChIInChI=1S/C20H20N2O3/c1-13-4-10-17(11-5-13)24-12-18-14(2)25-20(22-18)16-8-6-15(7-9-16)19(23)21-3/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyUVZKGONQPXVWJA-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.90
Rot. Bonds5

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

N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide (PubChem CID 20916670) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
PubChem CID20916670
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
SMILESCNC(=O)c1ccc(-c2nc(COc3ccc(C)cc3)c(C)o2)cc1
InChIInChI=1S/C20H20N2O3/c1-13-4-10-17(11-5-13)24-12-18-14(2)25-20(22-18)16-8-6-15(7-9-16)19(23)21-3/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyUVZKGONQPXVWJA-UHFFFAOYSA-N
XLogP3.90
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-propan-2-ylbenzamide
CID 20916591
N-(3-chloro-2-methylphenyl)-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 46277613
N-[(3-fluorophenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916684
N-[2-(cyclohexen-1-yl)ethyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916665
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-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 20916689
N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
CID 45106624
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]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 92734983

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide (CID 20916670) is N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide is CNC(=O)c1ccc(-c2nc(COc3ccc(C)cc3)c(C)o2)cc1.
What is the InChIKey of N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide?
The InChIKey is UVZKGONQPXVWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-4-10-17(11-5-13)24-12-18-14(2)25-20(22-18)16-8-6-15(7-9-16)19(23)21-3/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide?
N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide has a molecular weight of 336.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 20916670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).