N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide

C25H31N3O3 — CID 43044730

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)N(C)C)cc1
InChIInChI=1S/C25H31N3O3/c1-17-6-7-20(14-18(17)2)23-16-27-25(31-23)13-12-24(29)26-15-22(28(3)4)19-8-10-21(30-5)11-9-19/h6-11,14,16,22H,12-13,15H2,1-5H3,(H,26,29)
InChIKeyDIIJJIDKXVRHAV-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.32
Rot. Bonds9

About N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 43044730) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID43044730
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)N(C)C)cc1
InChIInChI=1S/C25H31N3O3/c1-17-6-7-20(14-18(17)2)23-16-27-25(31-23)13-12-24(29)26-15-22(28(3)4)19-8-10-21(30-5)11-9-19/h6-11,14,16,22H,12-13,15H2,1-5H3,(H,26,29)
InChIKeyDIIJJIDKXVRHAV-UHFFFAOYSA-N
XLogP4.32
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide with MolForge

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide
CID 34967892
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 86962574
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 39957558
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 51128497
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3,4-dimethylphenoxy)propanamide
CID 47082053
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 41318325
N-[2-(diethylamino)-2-phenylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18167213
3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]propanamide
CID 33314358
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 7987402
N'-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 43039183
N-[(2R)-2-(dimethylamino)-3-methylbutyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30894313
N-[2-(dimethylamino)-3-methylbutyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 42940238

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide (CID 43044730) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide is COc1ccc(C(CNC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is DIIJJIDKXVRHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-17-6-7-20(14-18(17)2)23-16-27-25(31-23)13-12-24(29)26-15-22(28(3)4)19-8-10-21(30-5)11-9-19/h6-11,14,16,22H,12-13,15H2,1-5H3,(H,26,29).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 421.54 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 43044730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).