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

C20H19ClN2O3 — CID 78781700

IUPACN-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C20H19ClN2O3/c1-13-18(14(2)26-23-13)12-25-17-9-7-15(8-10-17)20(24)22-11-16-5-3-4-6-19(16)21/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeyAFTMAFJVBASRDT-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.45
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 78781700) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID78781700
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC NameN-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C20H19ClN2O3/c1-13-18(14(2)26-23-13)12-25-17-9-7-15(8-10-17)20(24)22-11-16-5-3-4-6-19(16)21/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeyAFTMAFJVBASRDT-UHFFFAOYSA-N
XLogP4.45
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 55728087
N-(2,3-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 135338189
4-[(2-chlorophenyl)methoxy]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxybenzamide
CID 47916263
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 7535370
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 7971440
N-[3-chloro-2-(dimethylamino)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 55763182
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 30177336
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
CID 18074313
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 30125187
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709579
N-(2-chloro-4-methylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 7926596
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 30102866

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 78781700) is N-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is Cc1noc(C)c1COc1ccc(C(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is AFTMAFJVBASRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-13-18(14(2)26-23-13)12-25-17-9-7-15(8-10-17)20(24)22-11-16-5-3-4-6-19(16)21/h3-10H,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 370.84 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 78781700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).