(2S,3S)-3-(2,5-dimethyl-1,3-oxazolidin-4-yl)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide

C22H28N2O5 — CID 87355562

IUPAC(2S,3S)-3-(2,5-dimethyl-1,3-oxazolidin-4-yl)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide
SMILESCC1NC([C@H](O)[C@](C)(OCc2ccc(-c3ccccc3)cc2)C(=O)NO)C(C)O1
InChIInChI=1S/C22H28N2O5/c1-14-19(23-15(2)29-14)20(25)22(3,21(26)24-27)28-13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,14-15,19-20,23,25,27H,13H2,1-3H3,(H,24,26)/t14?,15?,19?,20-,22-/m0/s1
InChIKeyRWOMMMNNMDORNK-JNMRDXGNSA-N
MW400.48 g/mol
LogP2.22
Rot. Bonds7

About (2S,3S)-3-(2,5-dimethyl-1,3-oxazolidin-4-yl)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide

(2S,3S)-3-(2,5-dimethyl-1,3-oxazolidin-4-yl)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide (PubChem CID 87355562) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is (2S,3S)-3-(2,5-dimethyl-1,3-oxazolidin-4-yl)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide.

Molecular Properties

Compound Name(2S,3S)-3-(2,5-dimethyl-1,3-oxazolidin-4-yl)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide
PubChem CID87355562
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Name(2S,3S)-3-(2,5-dimethyl-1,3-oxazolidin-4-yl)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide
SMILESCC1NC([C@H](O)[C@](C)(OCc2ccc(-c3ccccc3)cc2)C(=O)NO)C(C)O1
InChIInChI=1S/C22H28N2O5/c1-14-19(23-15(2)29-14)20(25)22(3,21(26)24-27)28-13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,14-15,19-20,23,25,27H,13H2,1-3H3,(H,24,26)/t14?,15?,19?,20-,22-/m0/s1
InChIKeyRWOMMMNNMDORNK-JNMRDXGNSA-N
XLogP2.22
TPSA100.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S,3S)-3-(2,5-dimethyl-1,3-oxazolidin-4-yl)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide 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,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]-3-pyridin-2-ylpropanamide
CID 70689469
(2S,3S)-N,3-dihydroxy-2-methyl-3-(1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide
CID 70687412
(2S,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]-3-(1,3-thiazol-5-yl)propanamide
CID 45255464
(2S,3R)-N,3-dihydroxy-3-imidazo[1,2-a]pyridin-2-yl-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide
CID 45255663
(2S,3S)-N,3-dihydroxy-3-imidazo[1,2-a]pyridin-2-yl-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide
CID 87355570
(3S,4S)-1,4-dihydroxy-3-methyl-4-phenyl-3-[(4-phenylphenyl)methoxy]butan-2-one
CID 58354450
(2S,3R)-2-[[4-(4-fluorophenyl)phenyl]methoxy]-N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 45256040
(2S,3R)-2-[[4-(4-fluorophenyl)phenyl]methoxy]-N,3-dihydroxy-3-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-methylpropanamide
CID 45255855
diethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate
CID 67230867
(3S,4S)-1,4-dihydroxy-3-methyl-4-(5-phenyl-1,2-oxazol-3-yl)-3-[(4-phenylphenyl)methoxy]butan-2-one
CID 58354431
N,3-dihydroxy-2,3-dimethyl-2-[2-(4-phenylphenyl)ethyl]butanamide;ethane
CID 144791814
(4-phenylphenyl)methyl carbamate
CID 123751479

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(2,5-dimethyl-1,3-oxazolidin-4-yl)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide?
The IUPAC name of (2S,3S)-3-(2,5-dimethyl-1,3-oxazolidin-4-yl)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide (CID 87355562) is (2S,3S)-3-(2,5-dimethyl-1,3-oxazolidin-4-yl)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide.
What is the SMILES notation for (2S,3S)-3-(2,5-dimethyl-1,3-oxazolidin-4-yl)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide?
The canonical SMILES for (2S,3S)-3-(2,5-dimethyl-1,3-oxazolidin-4-yl)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide is CC1NC([C@H](O)[C@](C)(OCc2ccc(-c3ccccc3)cc2)C(=O)NO)C(C)O1.
What is the InChIKey of (2S,3S)-3-(2,5-dimethyl-1,3-oxazolidin-4-yl)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide?
The InChIKey is RWOMMMNNMDORNK-JNMRDXGNSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-14-19(23-15(2)29-14)20(25)22(3,21(26)24-27)28-13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,14-15,19-20,23,25,27H,13H2,1-3H3,(H,24,26)/t14?,15?,19?,20-,22-/m0/s1.
What are the key properties of (2S,3S)-3-(2,5-dimethyl-1,3-oxazolidin-4-yl)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide?
(2S,3S)-3-(2,5-dimethyl-1,3-oxazolidin-4-yl)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide has a molecular weight of 400.48 g/mol, XLogP of 2.22, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(2,5-dimethyl-1,3-oxazolidin-4-yl)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide is sourced from PubChem (CID 87355562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).