N-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide

C23H27N3O3 — CID 118796836

IUPACN-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cc(C)c(CNC[C@@H](NC(=O)c2cc(C)on2)c2ccccc2)cc1C
InChIInChI=1S/C23H27N3O3/c1-15-11-22(28-4)16(2)10-19(15)13-24-14-21(18-8-6-5-7-9-18)25-23(27)20-12-17(3)29-26-20/h5-12,21,24H,13-14H2,1-4H3,(H,25,27)/t21-/m1/s1
InChIKeyJWARISOWNKYPRB-OAQYLSRUSA-N
MW393.49 g/mol
LogP3.87
Rot. Bonds8

About N-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 118796836) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID118796836
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cc(C)c(CNC[C@@H](NC(=O)c2cc(C)on2)c2ccccc2)cc1C
InChIInChI=1S/C23H27N3O3/c1-15-11-22(28-4)16(2)10-19(15)13-24-14-21(18-8-6-5-7-9-18)25-23(27)20-12-17(3)29-26-20/h5-12,21,24H,13-14H2,1-4H3,(H,25,27)/t21-/m1/s1
InChIKeyJWARISOWNKYPRB-OAQYLSRUSA-N
XLogP3.87
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
(2S,3S)-N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
CID 10500669
5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morpholino-propyl)isoxazole-3-carboxamide
CID 24818973
N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093771
5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3494857
N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3686576
N-isobutyl-7-methoxy-4,5-dihydronaphtho[2,1-d]isoxazole-3-carboxamide
CID 4063793
N-cyclopentyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 6619102
5-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]isoxazole-3-carboxamide
CID 16188846
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 16285974
5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
CID 24791199
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093805

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 118796836) is N-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide is COc1cc(C)c(CNC[C@@H](NC(=O)c2cc(C)on2)c2ccccc2)cc1C.
What is the InChIKey of N-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is JWARISOWNKYPRB-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15-11-22(28-4)16(2)10-19(15)13-24-14-21(18-8-6-5-7-9-18)25-23(27)20-12-17(3)29-26-20/h5-12,21,24H,13-14H2,1-4H3,(H,25,27)/t21-/m1/s1.
What are the key properties of N-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118796836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).