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

C21H22N2O5 — CID 70693664

IUPAC(2S,3S)-N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide
SMILESCc1cc([C@H](O)[C@](C)(OCc2ccc(-c3ccccc3)cc2)C(=O)NO)no1
InChIInChI=1S/C21H22N2O5/c1-14-12-18(23-28-14)19(24)21(2,20(25)22-26)27-13-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-12,19,24,26H,13H2,1-2H3,(H,22,25)/t19-,21-/m0/s1
InChIKeyGFLUBJYGGPWVEV-FPOVZHCZSA-N
MW382.42 g/mol
LogP3.16
Rot. Bonds7

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

(2S,3S)-N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide (PubChem CID 70693664) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is (2S,3S)-N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide.

Molecular Properties

Compound Name(2S,3S)-N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide
PubChem CID70693664
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name(2S,3S)-N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide
SMILESCc1cc([C@H](O)[C@](C)(OCc2ccc(-c3ccccc3)cc2)C(=O)NO)no1
InChIInChI=1S/C21H22N2O5/c1-14-12-18(23-28-14)19(24)21(2,20(25)22-26)27-13-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-12,19,24,26H,13H2,1-2H3,(H,22,25)/t19-,21-/m0/s1
InChIKeyGFLUBJYGGPWVEV-FPOVZHCZSA-N
XLogP3.16
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.16
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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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide?
The IUPAC name of (2S,3S)-N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide (CID 70693664) is (2S,3S)-N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide.
What is the SMILES notation for (2S,3S)-N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide?
The canonical SMILES for (2S,3S)-N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide is Cc1cc([C@H](O)[C@](C)(OCc2ccc(-c3ccccc3)cc2)C(=O)NO)no1.
What is the InChIKey of (2S,3S)-N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide?
The InChIKey is GFLUBJYGGPWVEV-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-14-12-18(23-28-14)19(24)21(2,20(25)22-26)27-13-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-12,19,24,26H,13H2,1-2H3,(H,22,25)/t19-,21-/m0/s1.
What are the key properties of (2S,3S)-N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide?
(2S,3S)-N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide has a molecular weight of 382.42 g/mol, XLogP of 3.16, 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-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide is sourced from PubChem (CID 70693664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).