2-[2-[(R)-(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide

C35H39N3O4 — CID 71247255

IUPAC2-[2-[(R)-(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc([C@@H](NC(=O)Cc2ccc3oc([C@H](OCC(C)(C)N)c4c(C)noc4C)cc3c2)c2ccccc2)c(C)c1
InChIInChI=1S/C35H39N3O4/c1-21-12-14-28(22(2)16-21)33(26-10-8-7-9-11-26)37-31(39)18-25-13-15-29-27(17-25)19-30(41-29)34(40-20-35(5,6)36)32-23(3)38-42-24(32)4/h7-17,19,33-34H,18,20,36H2,1-6H3,(H,37,39)/t33-,34-/m0/s1
InChIKeySWQQBIUNCYIOCT-HEVIKAOCSA-N
MW565.71 g/mol
LogP6.95
Rot. Bonds10

About 2-[2-[(R)-(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide

2-[2-[(R)-(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide (PubChem CID 71247255) has the molecular formula C35H39N3O4 and a molecular weight of 565.71 g/mol. Its IUPAC name is 2-[2-[(R)-(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[2-[(R)-(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide
PubChem CID71247255
Molecular FormulaC35H39N3O4
Molecular Weight565.71 g/mol
Exact Mass565.29
IUPAC Name2-[2-[(R)-(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc([C@@H](NC(=O)Cc2ccc3oc([C@H](OCC(C)(C)N)c4c(C)noc4C)cc3c2)c2ccccc2)c(C)c1
InChIInChI=1S/C35H39N3O4/c1-21-12-14-28(22(2)16-21)33(26-10-8-7-9-11-26)37-31(39)18-25-13-15-29-27(17-25)19-30(41-29)34(40-20-35(5,6)36)32-23(3)38-42-24(32)4/h7-17,19,33-34H,18,20,36H2,1-6H3,(H,37,39)/t33-,34-/m0/s1
InChIKeySWQQBIUNCYIOCT-HEVIKAOCSA-N
XLogP6.95
TPSA103.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.71
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(R)-(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 71247130
2-[2-[[2-(dimethylamino)-2-oxoethoxy]-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 71251104
2-[2-[(R)-(3,5-dimethyl-1,2-oxazol-4-yl)-hydroxymethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 171370077
2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxyethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 78046380
4-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[5-[2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]-1-benzofuran-2-yl]butanoic acid
CID 71247317
2-[2-[(3-aminoazetidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 71246732
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(iodoamino)azetidin-1-yl]methyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 89404499
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-hydroxymethyl]-1-benzofuran-5-yl]-N-[(4-hydroxy-2-methylphenyl)-phenylmethyl]acetamide
CID 71247059
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-difluoromethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 71247492
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-hydroxymethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-[4-(methylsulfanylamino)phenyl]methyl]acetamide
CID 144523780
2-[2-[(2-amino-2-methylpropoxy)-(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-N-[(4-hydroxy-2-methylphenyl)-phenylmethyl]acetamide
CID 144523901
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-hydroxymethyl]-1-benzofuran-5-yl]-4-(2,4-dimethylphenyl)-5-propan-2-yloxypentan-2-one
CID 162257534

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(R)-(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[2-[(R)-(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide (CID 71247255) is 2-[2-[(R)-(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[2-[(R)-(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[2-[(R)-(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide is Cc1ccc([C@@H](NC(=O)Cc2ccc3oc([C@H](OCC(C)(C)N)c4c(C)noc4C)cc3c2)c2ccccc2)c(C)c1.
What is the InChIKey of 2-[2-[(R)-(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide?
The InChIKey is SWQQBIUNCYIOCT-HEVIKAOCSA-N. The full InChI is InChI=1S/C35H39N3O4/c1-21-12-14-28(22(2)16-21)33(26-10-8-7-9-11-26)37-31(39)18-25-13-15-29-27(17-25)19-30(41-29)34(40-20-35(5,6)36)32-23(3)38-42-24(32)4/h7-17,19,33-34H,18,20,36H2,1-6H3,(H,37,39)/t33-,34-/m0/s1.
What are the key properties of 2-[2-[(R)-(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide?
2-[2-[(R)-(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide has a molecular weight of 565.71 g/mol, XLogP of 6.95, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(R)-(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 71247255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).