N,3-dihydroxy-3-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-methyl-2-[[4-(5-methyl-2-pyridinyl)phenyl]methoxy]propanamide

C21H23N3O6 — CID 140640963

IUPACN,3-dihydroxy-3-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-methyl-2-[[4-(5-methyl-2-pyridinyl)phenyl]methoxy]propanamide
SMILESCc1ccc(-c2ccc(COC(C)(C(=O)NO)C(O)c3cc(CO)on3)cc2)nc1
InChIInChI=1S/C21H23N3O6/c1-13-3-8-17(22-10-13)15-6-4-14(5-7-15)12-29-21(2,20(27)23-28)19(26)18-9-16(11-25)30-24-18/h3-10,19,25-26,28H,11-12H2,1-2H3,(H,23,27)
InChIKeyISTJUUPTGIYCJK-UHFFFAOYSA-N
MW413.43 g/mol
LogP2.05
Rot. Bonds8

About N,3-dihydroxy-3-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-methyl-2-[[4-(5-methyl-2-pyridinyl)phenyl]methoxy]propanamide

N,3-dihydroxy-3-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-methyl-2-[[4-(5-methyl-2-pyridinyl)phenyl]methoxy]propanamide (PubChem CID 140640963) has the molecular formula C21H23N3O6 and a molecular weight of 413.43 g/mol. Its IUPAC name is N,3-dihydroxy-3-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-methyl-2-[[4-(5-methyl-2-pyridinyl)phenyl]methoxy]propanamide.

Molecular Properties

Compound NameN,3-dihydroxy-3-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-methyl-2-[[4-(5-methyl-2-pyridinyl)phenyl]methoxy]propanamide
PubChem CID140640963
Molecular FormulaC21H23N3O6
Molecular Weight413.43 g/mol
Exact Mass413.16
IUPAC NameN,3-dihydroxy-3-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-methyl-2-[[4-(5-methyl-2-pyridinyl)phenyl]methoxy]propanamide
SMILESCc1ccc(-c2ccc(COC(C)(C(=O)NO)C(O)c3cc(CO)on3)cc2)nc1
InChIInChI=1S/C21H23N3O6/c1-13-3-8-17(22-10-13)15-6-4-14(5-7-15)12-29-21(2,20(27)23-28)19(26)18-9-16(11-25)30-24-18/h3-10,19,25-26,28H,11-12H2,1-2H3,(H,23,27)
InChIKeyISTJUUPTGIYCJK-UHFFFAOYSA-N
XLogP2.05
TPSA137.94 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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 N,3-dihydroxy-3-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-methyl-2-[[4-(5-methyl-2-pyridinyl)phenyl]methoxy]propanamide?
The IUPAC name of N,3-dihydroxy-3-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-methyl-2-[[4-(5-methyl-2-pyridinyl)phenyl]methoxy]propanamide (CID 140640963) is N,3-dihydroxy-3-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-methyl-2-[[4-(5-methyl-2-pyridinyl)phenyl]methoxy]propanamide.
What is the SMILES notation for N,3-dihydroxy-3-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-methyl-2-[[4-(5-methyl-2-pyridinyl)phenyl]methoxy]propanamide?
The canonical SMILES for N,3-dihydroxy-3-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-methyl-2-[[4-(5-methyl-2-pyridinyl)phenyl]methoxy]propanamide is Cc1ccc(-c2ccc(COC(C)(C(=O)NO)C(O)c3cc(CO)on3)cc2)nc1.
What is the InChIKey of N,3-dihydroxy-3-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-methyl-2-[[4-(5-methyl-2-pyridinyl)phenyl]methoxy]propanamide?
The InChIKey is ISTJUUPTGIYCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6/c1-13-3-8-17(22-10-13)15-6-4-14(5-7-15)12-29-21(2,20(27)23-28)19(26)18-9-16(11-25)30-24-18/h3-10,19,25-26,28H,11-12H2,1-2H3,(H,23,27).
What are the key properties of N,3-dihydroxy-3-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-methyl-2-[[4-(5-methyl-2-pyridinyl)phenyl]methoxy]propanamide?
N,3-dihydroxy-3-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-methyl-2-[[4-(5-methyl-2-pyridinyl)phenyl]methoxy]propanamide has a molecular weight of 413.43 g/mol, XLogP of 2.05, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dihydroxy-3-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-methyl-2-[[4-(5-methyl-2-pyridinyl)phenyl]methoxy]propanamide is sourced from PubChem (CID 140640963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).