N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

C22H25N3O4 — CID 43843751

IUPACN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC(c3ccccc3OC)N(C)C)no2)cc1
InChIInChI=1S/C22H25N3O4/c1-25(2)19(17-7-5-6-8-20(17)28-4)14-23-22(26)18-13-21(29-24-18)15-9-11-16(27-3)12-10-15/h5-13,19H,14H2,1-4H3,(H,23,26)
InChIKeySCSSYONDQKVBHD-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.39
Rot. Bonds8

About N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 43843751) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID43843751
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC(c3ccccc3OC)N(C)C)no2)cc1
InChIInChI=1S/C22H25N3O4/c1-25(2)19(17-7-5-6-8-20(17)28-4)14-23-22(26)18-13-21(29-24-18)15-9-11-16(27-3)12-10-15/h5-13,19H,14H2,1-4H3,(H,23,26)
InChIKeySCSSYONDQKVBHD-UHFFFAOYSA-N
XLogP3.39
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 43843478
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 43843486
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17016099
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 39866714
5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 43843573
N-[(2S)-2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 35582660
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 45132897
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 50754415
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 55350130
5-(4-methoxyphenyl)-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide
CID 73254015
N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 93486036
N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 39866174

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 43843751) is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)NCC(c3ccccc3OC)N(C)C)no2)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SCSSYONDQKVBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-25(2)19(17-7-5-6-8-20(17)28-4)14-23-22(26)18-13-21(29-24-18)15-9-11-16(27-3)12-10-15/h5-13,19H,14H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 43843751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).