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

C23H27N3O3 — CID 8937144

IUPACN-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)c1
InChIInChI=1S/C23H27N3O3/c1-16-21(17(2)29-25-16)15-28-20-12-8-11-19(13-20)23(27)24-22(14-26(3)4)18-9-6-5-7-10-18/h5-13,22H,14-15H2,1-4H3,(H,24,27)/t22-/m0/s1
InChIKeySHHJILWZUYZHFF-QFIPXVFZSA-N
MW393.49 g/mol
LogP3.90
Rot. Bonds8

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

N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 8937144) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID8937144
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)c1
InChIInChI=1S/C23H27N3O3/c1-16-21(17(2)29-25-16)15-28-20-12-8-11-19(13-20)23(27)24-22(14-26(3)4)18-9-6-5-7-10-18/h5-13,22H,14-15H2,1-4H3,(H,24,27)/t22-/m0/s1
InChIKeySHHJILWZUYZHFF-QFIPXVFZSA-N
XLogP3.90
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1-phenylethyl)benzamide
CID 51188159
methyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate
CID 32726912
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43020451
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 51306880
N-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43059207
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 29097966
N'-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9401355
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-phenylbutyl)benzamide
CID 46533721
methyl (2R)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-hydroxypropanoate
CID 9277736
methyl (3R)-3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-thiophen-2-ylpropanoate
CID 30371680
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(1-phenylethoxy)propyl]benzamide
CID 46557184
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733641

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 8937144) is N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)c1.
What is the InChIKey of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is SHHJILWZUYZHFF-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16-21(17(2)29-25-16)15-28-20-12-8-11-19(13-20)23(27)24-22(14-26(3)4)18-9-6-5-7-10-18/h5-13,22H,14-15H2,1-4H3,(H,24,27)/t22-/m0/s1.
What are the key properties of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 393.49 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 8937144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).