(2R,3R)-N-[(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-(2-phenylethyl)butanediamide

C24H29N3O5 — CID 70931063

IUPAC(2R,3R)-N-[(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-(2-phenylethyl)butanediamide
SMILESCN(CCc1ccccc1)C(=O)[C@H](O)[C@@H](O)C(=O)NCC1=NC(Cc2ccccc2)CO1
InChIInChI=1S/C24H29N3O5/c1-27(13-12-17-8-4-2-5-9-17)24(31)22(29)21(28)23(30)25-15-20-26-19(16-32-20)14-18-10-6-3-7-11-18/h2-11,19,21-22,28-29H,12-16H2,1H3,(H,25,30)/t19?,21-,22-/m1/s1
InChIKeyNXOMMUDLUQQSAS-CEAUUGKZSA-N
MW439.51 g/mol
LogP0.57
Rot. Bonds10

About (2R,3R)-N-[(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-(2-phenylethyl)butanediamide

(2R,3R)-N-[(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-(2-phenylethyl)butanediamide (PubChem CID 70931063) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is (2R,3R)-N-[(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-(2-phenylethyl)butanediamide.

Molecular Properties

Compound Name(2R,3R)-N-[(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-(2-phenylethyl)butanediamide
PubChem CID70931063
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name(2R,3R)-N-[(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-(2-phenylethyl)butanediamide
SMILESCN(CCc1ccccc1)C(=O)[C@H](O)[C@@H](O)C(=O)NCC1=NC(Cc2ccccc2)CO1
InChIInChI=1S/C24H29N3O5/c1-27(13-12-17-8-4-2-5-9-17)24(31)22(29)21(28)23(30)25-15-20-26-19(16-32-20)14-18-10-6-3-7-11-18/h2-11,19,21-22,28-29H,12-16H2,1H3,(H,25,30)/t19?,21-,22-/m1/s1
InChIKeyNXOMMUDLUQQSAS-CEAUUGKZSA-N
XLogP0.57
TPSA111.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3R)-N-[(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-(2-phenylethyl)butanediamide 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

(2R,3R)-2,3-dihydroxy-N-methyl-N-(2-phenylethyl)-N'-(2-thiophen-2-ylethyl)butanediamide
CID 46230364
(2R,3R)-N-[3-(2-ethenylpentanoylamino)propyl]-2,3-dihydroxy-N'-methyl-N'-(2-phenylethyl)butanediamide
CID 143154119
3-amino-2-hydroxy-N-methyl-N-(2-phenylethyl)propanamide
CID 115180819
N,2-dimethyl-N-(2-phenylethyl)propanamide
CID 22954091
(4S)-4-benzyl-2-[[3,5-bis[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-2,4,6-trimethylphenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 101074951
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid
CID 66166586
(2R)-2-amino-N-methyl-N-(2-phenylethyl)propanamide
CID 78973247
N-methyl-N-(2-phenylethyl)-2-sulfanylpropanamide
CID 107031339
5-chloro-N-methyl-N-(2-phenylethyl)furan-2-carboxamide
CID 103612110
N-methyl-4-(methylamino)-N-(2-phenylethyl)oxolane-3-carboxamide
CID 66264836
(2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide
CID 79012795

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-(2-phenylethyl)butanediamide?
The IUPAC name of (2R,3R)-N-[(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-(2-phenylethyl)butanediamide (CID 70931063) is (2R,3R)-N-[(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-(2-phenylethyl)butanediamide.
What is the SMILES notation for (2R,3R)-N-[(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-(2-phenylethyl)butanediamide?
The canonical SMILES for (2R,3R)-N-[(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-(2-phenylethyl)butanediamide is CN(CCc1ccccc1)C(=O)[C@H](O)[C@@H](O)C(=O)NCC1=NC(Cc2ccccc2)CO1.
What is the InChIKey of (2R,3R)-N-[(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-(2-phenylethyl)butanediamide?
The InChIKey is NXOMMUDLUQQSAS-CEAUUGKZSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-27(13-12-17-8-4-2-5-9-17)24(31)22(29)21(28)23(30)25-15-20-26-19(16-32-20)14-18-10-6-3-7-11-18/h2-11,19,21-22,28-29H,12-16H2,1H3,(H,25,30)/t19?,21-,22-/m1/s1.
What are the key properties of (2R,3R)-N-[(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-(2-phenylethyl)butanediamide?
(2R,3R)-N-[(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-(2-phenylethyl)butanediamide has a molecular weight of 439.51 g/mol, XLogP of 0.57, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-(2-phenylethyl)butanediamide is sourced from PubChem (CID 70931063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).