3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide

C22H24N2O4 — CID 29097966

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1
InChIInChI=1S/C22H24N2O4/c1-14(17-8-10-19(26-4)11-9-17)23-22(25)18-6-5-7-20(12-18)27-13-21-15(2)24-28-16(21)3/h5-12,14H,13H2,1-4H3,(H,23,25)/t14-/m0/s1
InChIKeyHMZCGJNIWIAUAM-AWEZNQCLSA-N
MW380.44 g/mol
LogP4.37
Rot. Bonds7

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 29097966) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
PubChem CID29097966
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1
InChIInChI=1S/C22H24N2O4/c1-14(17-8-10-19(26-4)11-9-17)23-22(25)18-6-5-7-20(12-18)27-13-21-15(2)24-28-16(21)3/h5-12,14H,13H2,1-4H3,(H,23,25)/t14-/m0/s1
InChIKeyHMZCGJNIWIAUAM-AWEZNQCLSA-N
XLogP4.37
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46450144
N-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43059207
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 51306880
4-[(3-fluorophenoxy)methyl]-N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492576
methyl (2R)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-hydroxypropanoate
CID 9277736
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 92614409
3-ethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 1252585
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43020451
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733641
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31420076
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488573
4-[(2,6-dimethylphenoxy)methyl]-N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19486112

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide (CID 29097966) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide is COc1ccc([C@H](C)NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is HMZCGJNIWIAUAM-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14(17-8-10-19(26-4)11-9-17)23-22(25)18-6-5-7-20(12-18)27-13-21-15(2)24-28-16(21)3/h5-12,14H,13H2,1-4H3,(H,23,25)/t14-/m0/s1.
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 380.44 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 29097966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).