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

C20H20N2O5 — CID 70687412

IUPAC(2S,3S)-N,3-dihydroxy-2-methyl-3-(1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide
SMILESC[C@@](OCc1ccc(-c2ccccc2)cc1)(C(=O)NO)[C@@H](O)c1ccon1
InChIInChI=1S/C20H20N2O5/c1-20(19(24)21-25,18(23)17-11-12-27-22-17)26-13-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-12,18,23,25H,13H2,1H3,(H,21,24)/t18-,20-/m0/s1
InChIKeyCMPZHCOSUPGFSZ-ICSRJNTNSA-N
MW368.39 g/mol
LogP2.86
Rot. Bonds7

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

(2S,3S)-N,3-dihydroxy-2-methyl-3-(1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide (PubChem CID 70687412) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is (2S,3S)-N,3-dihydroxy-2-methyl-3-(1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide.

Molecular Properties

Compound Name(2S,3S)-N,3-dihydroxy-2-methyl-3-(1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide
PubChem CID70687412
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name(2S,3S)-N,3-dihydroxy-2-methyl-3-(1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide
SMILESC[C@@](OCc1ccc(-c2ccccc2)cc1)(C(=O)NO)[C@@H](O)c1ccon1
InChIInChI=1S/C20H20N2O5/c1-20(19(24)21-25,18(23)17-11-12-27-22-17)26-13-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-12,18,23,25H,13H2,1H3,(H,21,24)/t18-,20-/m0/s1
InChIKeyCMPZHCOSUPGFSZ-ICSRJNTNSA-N
XLogP2.86
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.86
H-Bond Donors ≤ 53
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'}

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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-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
(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
(2S,3S)-3-(2,5-dimethyl-1,3-oxazolidin-4-yl)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide
CID 87355562
(3S,4S)-1,4-dihydroxy-3-methyl-4-(5-phenyl-1,2-oxazol-3-yl)-3-[(4-phenylphenyl)methoxy]butan-2-one
CID 58354431
(3S,4S)-1,4-dihydroxy-3-methyl-4-phenyl-3-[(4-phenylphenyl)methoxy]butan-2-one
CID 58354450
tris[[3-[(1S,2S)-1-hydroxy-2-methyl-3-nitroso-3-oxo-2-[(4-phenylphenyl)methoxy]propyl]-1,2-oxazol-5-yl]methyl] phosphate
CID 90120498
diethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate
CID 67230867
4-hydroxy-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-oxo-2-[(4-phenylphenyl)methoxy]butanamide
CID 58354358

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N,3-dihydroxy-2-methyl-3-(1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide?
The IUPAC name of (2S,3S)-N,3-dihydroxy-2-methyl-3-(1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide (CID 70687412) is (2S,3S)-N,3-dihydroxy-2-methyl-3-(1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide.
What is the SMILES notation for (2S,3S)-N,3-dihydroxy-2-methyl-3-(1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide?
The canonical SMILES for (2S,3S)-N,3-dihydroxy-2-methyl-3-(1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide is C[C@@](OCc1ccc(-c2ccccc2)cc1)(C(=O)NO)[C@@H](O)c1ccon1.
What is the InChIKey of (2S,3S)-N,3-dihydroxy-2-methyl-3-(1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide?
The InChIKey is CMPZHCOSUPGFSZ-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-20(19(24)21-25,18(23)17-11-12-27-22-17)26-13-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-12,18,23,25H,13H2,1H3,(H,21,24)/t18-,20-/m0/s1.
What are the key properties of (2S,3S)-N,3-dihydroxy-2-methyl-3-(1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide?
(2S,3S)-N,3-dihydroxy-2-methyl-3-(1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide has a molecular weight of 368.39 g/mol, XLogP of 2.86, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N,3-dihydroxy-2-methyl-3-(1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide is sourced from PubChem (CID 70687412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).