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

C24H27N3O6 — CID 70329201

IUPAC(2R,3R)-2,3-dihydroxy-N-[[4-[(2-hydroxyphenyl)methyl]-1,3-oxazol-2-yl]methyl]-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide
SMILESC[C@H](c1ccccc1)N(C)C(=O)[C@H](O)[C@@H](O)C(=O)NCc1nc(Cc2ccccc2O)co1
InChIInChI=1S/C24H27N3O6/c1-15(16-8-4-3-5-9-16)27(2)24(32)22(30)21(29)23(31)25-13-20-26-18(14-33-20)12-17-10-6-7-11-19(17)28/h3-11,14-15,21-22,28-30H,12-13H2,1-2H3,(H,25,31)/t15-,21-,22-/m1/s1
InChIKeyJQFCHYMNIHZOHM-UJUVCNOISA-N
MW453.50 g/mol
LogP1.53
Rot. Bonds9

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

(2R,3R)-2,3-dihydroxy-N-[[4-[(2-hydroxyphenyl)methyl]-1,3-oxazol-2-yl]methyl]-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide (PubChem CID 70329201) has the molecular formula C24H27N3O6 and a molecular weight of 453.50 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxy-N-[[4-[(2-hydroxyphenyl)methyl]-1,3-oxazol-2-yl]methyl]-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxy-N-[[4-[(2-hydroxyphenyl)methyl]-1,3-oxazol-2-yl]methyl]-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide
PubChem CID70329201
Molecular FormulaC24H27N3O6
Molecular Weight453.50 g/mol
Exact Mass453.19
IUPAC Name(2R,3R)-2,3-dihydroxy-N-[[4-[(2-hydroxyphenyl)methyl]-1,3-oxazol-2-yl]methyl]-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide
SMILESC[C@H](c1ccccc1)N(C)C(=O)[C@H](O)[C@@H](O)C(=O)NCc1nc(Cc2ccccc2O)co1
InChIInChI=1S/C24H27N3O6/c1-15(16-8-4-3-5-9-16)27(2)24(32)22(30)21(29)23(31)25-13-20-26-18(14-33-20)12-17-10-6-7-11-19(17)28/h3-11,14-15,21-22,28-30H,12-13H2,1-2H3,(H,25,31)/t15-,21-,22-/m1/s1
InChIKeyJQFCHYMNIHZOHM-UJUVCNOISA-N
XLogP1.53
TPSA136.13 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R,3R)-2,3-dihydroxy-N-[[4-[(2-hydroxyphenyl)methyl]-1,3-oxazol-2-yl]methyl]-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide with MolForge

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Related Compounds

(2R,3R)-2,3-dihydroxy-N-[[4-[(2-hydroxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-N'-methyl-N'-[(1R)-1-naphthalen-1-ylethyl]butanediamide
CID 70329126
(2R,3R)-2,3-dihydroxy-N-methyl-N-[(1S)-1-phenylethyl]-N'-(2-thiophen-2-ylethyl)butanediamide
CID 11682301
N-[(4-benzyl-1,3-oxazol-2-yl)methyl]-N'-methyl-N'-(2-phenylethyl)butanediamide
CID 70330309
3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea
CID 51729179
2-[[4-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol
CID 115083874
1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea
CID 86914055
2-[(2-hydroxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 115084007
N-methyl-N-[(1S)-1-phenylethyl]-1-trimethylsilylformamide
CID 102208486
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 95567536
(2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide
CID 61164093
methyl(1-phenylethyl)carbamic acid
CID 67062794
1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea
CID 18144066

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxy-N-[[4-[(2-hydroxyphenyl)methyl]-1,3-oxazol-2-yl]methyl]-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide?
The IUPAC name of (2R,3R)-2,3-dihydroxy-N-[[4-[(2-hydroxyphenyl)methyl]-1,3-oxazol-2-yl]methyl]-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide (CID 70329201) is (2R,3R)-2,3-dihydroxy-N-[[4-[(2-hydroxyphenyl)methyl]-1,3-oxazol-2-yl]methyl]-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide.
What is the SMILES notation for (2R,3R)-2,3-dihydroxy-N-[[4-[(2-hydroxyphenyl)methyl]-1,3-oxazol-2-yl]methyl]-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide?
The canonical SMILES for (2R,3R)-2,3-dihydroxy-N-[[4-[(2-hydroxyphenyl)methyl]-1,3-oxazol-2-yl]methyl]-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide is C[C@H](c1ccccc1)N(C)C(=O)[C@H](O)[C@@H](O)C(=O)NCc1nc(Cc2ccccc2O)co1.
What is the InChIKey of (2R,3R)-2,3-dihydroxy-N-[[4-[(2-hydroxyphenyl)methyl]-1,3-oxazol-2-yl]methyl]-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide?
The InChIKey is JQFCHYMNIHZOHM-UJUVCNOISA-N. The full InChI is InChI=1S/C24H27N3O6/c1-15(16-8-4-3-5-9-16)27(2)24(32)22(30)21(29)23(31)25-13-20-26-18(14-33-20)12-17-10-6-7-11-19(17)28/h3-11,14-15,21-22,28-30H,12-13H2,1-2H3,(H,25,31)/t15-,21-,22-/m1/s1.
What are the key properties of (2R,3R)-2,3-dihydroxy-N-[[4-[(2-hydroxyphenyl)methyl]-1,3-oxazol-2-yl]methyl]-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide?
(2R,3R)-2,3-dihydroxy-N-[[4-[(2-hydroxyphenyl)methyl]-1,3-oxazol-2-yl]methyl]-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide has a molecular weight of 453.50 g/mol, XLogP of 1.53, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxy-N-[[4-[(2-hydroxyphenyl)methyl]-1,3-oxazol-2-yl]methyl]-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide is sourced from PubChem (CID 70329201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).