N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylbenzamide

C20H22N2O3 — CID 45175874

IUPACN-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylbenzamide
SMILESCOc1ccc(CC2=NOC(CNC(=O)c3ccccc3C)C2)cc1
InChIInChI=1S/C20H22N2O3/c1-14-5-3-4-6-19(14)20(23)21-13-18-12-16(22-25-18)11-15-7-9-17(24-2)10-8-15/h3-10,18H,11-13H2,1-2H3,(H,21,23)
InChIKeyMFIDDADSSMCWFG-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.12
Rot. Bonds6

About N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylbenzamide

N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylbenzamide (PubChem CID 45175874) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylbenzamide
PubChem CID45175874
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylbenzamide
SMILESCOc1ccc(CC2=NOC(CNC(=O)c3ccccc3C)C2)cc1
InChIInChI=1S/C20H22N2O3/c1-14-5-3-4-6-19(14)20(23)21-13-18-12-16(22-25-18)11-15-7-9-17(24-2)10-8-15/h3-10,18H,11-13H2,1-2H3,(H,21,23)
InChIKeyMFIDDADSSMCWFG-UHFFFAOYSA-N
XLogP3.12
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 118753970
2,4,5-trifluoro-N-[[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 42247905
N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 138989465
2-chloro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 95052078
2-fluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
CID 53017144
2-fluoro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 95052044
N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 97434585
N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 95207291
N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylbenzamide
CID 45243375
2-methyl-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 46090158
N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 110736135
N-[3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 9077292

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylbenzamide (CID 45175874) is N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylbenzamide is COc1ccc(CC2=NOC(CNC(=O)c3ccccc3C)C2)cc1.
What is the InChIKey of N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylbenzamide?
The InChIKey is MFIDDADSSMCWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-5-3-4-6-19(14)20(23)21-13-18-12-16(22-25-18)11-15-7-9-17(24-2)10-8-15/h3-10,18H,11-13H2,1-2H3,(H,21,23).
What are the key properties of N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylbenzamide?
N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylbenzamide has a molecular weight of 338.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylbenzamide is sourced from PubChem (CID 45175874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).