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

C24H29N3O4 — CID 39865788

IUPACN-[(2S)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)N(C)C)cc1OC
InChIInChI=1S/C24H29N3O4/c1-15-7-8-18(11-16(15)2)22-13-19(26-31-22)24(28)25-14-20(27(3)4)17-9-10-21(29-5)23(12-17)30-6/h7-13,20H,14H2,1-6H3,(H,25,28)/t20-/m1/s1
InChIKeyWHMDVDVKBZZRRF-HXUWFJFHSA-N
MW423.51 g/mol
LogP4.01
Rot. Bonds8

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

N-[(2S)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 39865788) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[(2S)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID39865788
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[(2S)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)N(C)C)cc1OC
InChIInChI=1S/C24H29N3O4/c1-15-7-8-18(11-16(15)2)22-13-19(26-31-22)24(28)25-14-20(27(3)4)17-9-10-21(29-5)23(12-17)30-6/h7-13,20H,14H2,1-6H3,(H,25,28)/t20-/m1/s1
InChIKeyWHMDVDVKBZZRRF-HXUWFJFHSA-N
XLogP4.01
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 35767800
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 45132897
5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 43843573
5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 39866064
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 43843486
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 39865956
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 39866714
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 43843751
5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 43843478
5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 39867354
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 99780009
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 50754415

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide (CID 39865788) is N-[(2S)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide is COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)N(C)C)cc1OC.
What is the InChIKey of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is WHMDVDVKBZZRRF-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-15-7-8-18(11-16(15)2)22-13-19(26-31-22)24(28)25-14-20(27(3)4)17-9-10-21(29-5)23(12-17)30-6/h7-13,20H,14H2,1-6H3,(H,25,28)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide?
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 39865788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).