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

C23H27N3O4 — CID 39866714

IUPACN-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(OC)cc3)N(C)C)no2)cc1
InChIInChI=1S/C23H27N3O4/c1-5-29-19-12-8-17(9-13-19)22-14-20(25-30-22)23(27)24-15-21(26(2)3)16-6-10-18(28-4)11-7-16/h6-14,21H,5,15H2,1-4H3,(H,24,27)/t21-/m1/s1
InChIKeyPIDJRPRIPBFZPH-OAQYLSRUSA-N
MW409.49 g/mol
LogP3.78
Rot. Bonds9

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

N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 39866714) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID39866714
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(OC)cc3)N(C)C)no2)cc1
InChIInChI=1S/C23H27N3O4/c1-5-29-19-12-8-17(9-13-19)22-14-20(25-30-22)23(27)24-15-21(26(2)3)16-6-10-18(28-4)11-7-16/h6-14,21H,5,15H2,1-4H3,(H,24,27)/t21-/m1/s1
InChIKeyPIDJRPRIPBFZPH-OAQYLSRUSA-N
XLogP3.78
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 39866174
N-[(2S)-2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 35582660
5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 43843573
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 43843486
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 43843751
5-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 50754362
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17016099
5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 39866064
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 45001600
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-(4-chlorophenoxy)propyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 51065323

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide (CID 39866714) is N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide is CCOc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(OC)cc3)N(C)C)no2)cc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is PIDJRPRIPBFZPH-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-5-29-19-12-8-17(9-13-19)22-14-20(25-30-22)23(27)24-15-21(26(2)3)16-6-10-18(28-4)11-7-16/h6-14,21H,5,15H2,1-4H3,(H,24,27)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide?
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 39866714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).