N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methylamino]propanamide

C20H20N4O5 — CID 139577482

IUPACN,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methylamino]propanamide
SMILESCc1cc(C(O)C(C)(NCc2cc(C#Cc3ccccc3)on2)C(=O)NO)no1
InChIInChI=1S/C20H20N4O5/c1-13-10-17(24-28-13)18(25)20(2,19(26)22-27)21-12-15-11-16(29-23-15)9-8-14-6-4-3-5-7-14/h3-7,10-11,18,21,25,27H,12H2,1-2H3,(H,22,26)
InChIKeyFCSYHENVRAZNIS-UHFFFAOYSA-N
MW396.40 g/mol
LogP1.46
Rot. Bonds6

About N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methylamino]propanamide

N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methylamino]propanamide (PubChem CID 139577482) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methylamino]propanamide.

Molecular Properties

Compound NameN,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methylamino]propanamide
PubChem CID139577482
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC NameN,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methylamino]propanamide
SMILESCc1cc(C(O)C(C)(NCc2cc(C#Cc3ccccc3)on2)C(=O)NO)no1
InChIInChI=1S/C20H20N4O5/c1-13-10-17(24-28-13)18(25)20(2,19(26)22-27)21-12-15-11-16(29-23-15)9-8-14-6-4-3-5-7-14/h3-7,10-11,18,21,25,27H,12H2,1-2H3,(H,22,26)
InChIKeyFCSYHENVRAZNIS-UHFFFAOYSA-N
XLogP1.46
TPSA133.65 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 51.46
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methylamino]propanamide?
The IUPAC name of N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methylamino]propanamide (CID 139577482) is N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methylamino]propanamide.
What is the SMILES notation for N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methylamino]propanamide?
The canonical SMILES for N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methylamino]propanamide is Cc1cc(C(O)C(C)(NCc2cc(C#Cc3ccccc3)on2)C(=O)NO)no1.
What is the InChIKey of N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methylamino]propanamide?
The InChIKey is FCSYHENVRAZNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5/c1-13-10-17(24-28-13)18(25)20(2,19(26)22-27)21-12-15-11-16(29-23-15)9-8-14-6-4-3-5-7-14/h3-7,10-11,18,21,25,27H,12H2,1-2H3,(H,22,26).
What are the key properties of N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methylamino]propanamide?
N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methylamino]propanamide has a molecular weight of 396.40 g/mol, XLogP of 1.46, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dihydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methylamino]propanamide is sourced from PubChem (CID 139577482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).