4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide

C22H23FN2O4 — CID 24553270

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(C)c(F)c2)ccc1OCc1c(C)noc1C
InChIInChI=1S/C22H23FN2O4/c1-13-5-6-16(9-19(13)23)11-24-22(26)17-7-8-20(21(10-17)27-4)28-12-18-14(2)25-29-15(18)3/h5-10H,11-12H2,1-4H3,(H,24,26)
InChIKeyVOJWWYQJNSHITC-UHFFFAOYSA-N
MW398.43 g/mol
LogP4.26
Rot. Bonds7

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide (PubChem CID 24553270) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide
PubChem CID24553270
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(C)c(F)c2)ccc1OCc1c(C)noc1C
InChIInChI=1S/C22H23FN2O4/c1-13-5-6-16(9-19(13)23)11-24-22(26)17-7-8-20(21(10-17)27-4)28-12-18-14(2)25-29-15(18)3/h5-10H,11-12H2,1-4H3,(H,24,26)
InChIKeyVOJWWYQJNSHITC-UHFFFAOYSA-N
XLogP4.26
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide with MolForge

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 51155505
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 27231637
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 55509371
N-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 26532706
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(4-methylphenoxy)butyl]benzamide
CID 55799586
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 27681684
N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 34485959
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N'-(4-methoxybenzoyl)benzohydrazide
CID 2093118
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 41275870
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 30177336
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dimethoxybenzamide
CID 110646263
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-fluorophenyl)-3-methoxybenzamide
CID 26086460

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide (CID 24553270) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide is COc1cc(C(=O)NCc2ccc(C)c(F)c2)ccc1OCc1c(C)noc1C.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide?
The InChIKey is VOJWWYQJNSHITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c1-13-5-6-16(9-19(13)23)11-24-22(26)17-7-8-20(21(10-17)27-4)28-12-18-14(2)25-29-15(18)3/h5-10H,11-12H2,1-4H3,(H,24,26).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide has a molecular weight of 398.43 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 24553270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).