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

C21H21ClN2O4 — CID 47916263

IUPAC4-[(2-chlorophenyl)methoxy]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2c(C)noc2C)ccc1OCc1ccccc1Cl
InChIInChI=1S/C21H21ClN2O4/c1-13-17(14(2)28-24-13)11-23-21(25)15-8-9-19(20(10-15)26-3)27-12-16-6-4-5-7-18(16)22/h4-10H,11-12H2,1-3H3,(H,23,25)
InChIKeyNFMWVCODISLKLF-UHFFFAOYSA-N
MW400.86 g/mol
LogP4.46
Rot. Bonds7

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

4-[(2-chlorophenyl)methoxy]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxybenzamide (PubChem CID 47916263) has the molecular formula C21H21ClN2O4 and a molecular weight of 400.86 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxybenzamide
PubChem CID47916263
Molecular FormulaC21H21ClN2O4
Molecular Weight400.86 g/mol
Exact Mass400.12
IUPAC Name4-[(2-chlorophenyl)methoxy]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2c(C)noc2C)ccc1OCc1ccccc1Cl
InChIInChI=1S/C21H21ClN2O4/c1-13-17(14(2)28-24-13)11-23-21(25)15-8-9-19(20(10-15)26-3)27-12-16-6-4-5-7-18(16)22/h4-10H,11-12H2,1-3H3,(H,23,25)
InChIKeyNFMWVCODISLKLF-UHFFFAOYSA-N
XLogP4.46
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.86
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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]-3-methoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55986766
N-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 78781700
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-[(2-chlorophenyl)methoxy]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methoxybenzamide
CID 55395887
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 55509371
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide
CID 24553270
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dimethoxybenzamide
CID 110646263
N'-(5-chloro-2-methoxybenzoyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzohydrazide
CID 2510816
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N'-(4-methoxybenzoyl)benzohydrazide
CID 2093118
N-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 26532706

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxybenzamide?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxybenzamide (CID 47916263) is 4-[(2-chlorophenyl)methoxy]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxybenzamide?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxybenzamide is COc1cc(C(=O)NCc2c(C)noc2C)ccc1OCc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxybenzamide?
The InChIKey is NFMWVCODISLKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O4/c1-13-17(14(2)28-24-13)11-23-21(25)15-8-9-19(20(10-15)26-3)27-12-16-6-4-5-7-18(16)22/h4-10H,11-12H2,1-3H3,(H,23,25).
What are the key properties of 4-[(2-chlorophenyl)methoxy]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxybenzamide?
4-[(2-chlorophenyl)methoxy]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxybenzamide has a molecular weight of 400.86 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 47916263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).