N-[3-chloro-2-(dimethylamino)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

C21H22ClN3O3 — CID 55763182

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2cccc(Cl)c2N(C)C)cc1
InChIInChI=1S/C21H22ClN3O3/c1-13-17(14(2)28-24-13)12-27-16-10-8-15(9-11-16)21(26)23-19-7-5-6-18(22)20(19)25(3)4/h5-11H,12H2,1-4H3,(H,23,26)
InChIKeyZFMNVDPQQLXIDF-UHFFFAOYSA-N
MW399.88 g/mol
LogP4.84
Rot. Bonds6

About N-[3-chloro-2-(dimethylamino)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

N-[3-chloro-2-(dimethylamino)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 55763182) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID55763182
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2cccc(Cl)c2N(C)C)cc1
InChIInChI=1S/C21H22ClN3O3/c1-13-17(14(2)28-24-13)12-27-16-10-8-15(9-11-16)21(26)23-19-7-5-6-18(22)20(19)25(3)4/h5-11H,12H2,1-4H3,(H,23,26)
InChIKeyZFMNVDPQQLXIDF-UHFFFAOYSA-N
XLogP4.84
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 135338189
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-(2-propan-2-ylphenyl)benzamide
CID 2466288
N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9146267
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]-N-(3-hydroxyphenyl)benzamide
CID 78783407
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55887040
N-cyclopropyl-2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 8023741
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-fluoro-5-methylphenyl)benzamide
CID 34233334
N-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55700831
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55308289
N-(3-chloro-2-methylphenyl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443591

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 55763182) is N-[3-chloro-2-(dimethylamino)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is Cc1noc(C)c1COc1ccc(C(=O)Nc2cccc(Cl)c2N(C)C)cc1.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is ZFMNVDPQQLXIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-13-17(14(2)28-24-13)12-27-16-10-8-15(9-11-16)21(26)23-19-7-5-6-18(22)20(19)25(3)4/h5-11H,12H2,1-4H3,(H,23,26).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-[3-chloro-2-(dimethylamino)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 399.88 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 55763182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).