N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide

C20H20N4O4 — CID 124575491

IUPACN'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide
SMILESCc1nnc(-c2ccc(NC(=O)C(=O)N[C@@H](CO)Cc3ccccc3)cc2)o1
InChIInChI=1S/C20H20N4O4/c1-13-23-24-20(28-13)15-7-9-16(10-8-15)21-18(26)19(27)22-17(12-25)11-14-5-3-2-4-6-14/h2-10,17,25H,11-12H2,1H3,(H,21,26)(H,22,27)/t17-/m1/s1
InChIKeyLJNTVFOCAYUOFF-QGZVFWFLSA-N
MW380.40 g/mol
LogP1.70
Rot. Bonds6

About N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide

N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide (PubChem CID 124575491) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide
PubChem CID124575491
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide
SMILESCc1nnc(-c2ccc(NC(=O)C(=O)N[C@@H](CO)Cc3ccccc3)cc2)o1
InChIInChI=1S/C20H20N4O4/c1-13-23-24-20(28-13)15-7-9-16(10-8-15)21-18(26)19(27)22-17(12-25)11-14-5-3-2-4-6-14/h2-10,17,25H,11-12H2,1H3,(H,21,26)(H,22,27)/t17-/m1/s1
InChIKeyLJNTVFOCAYUOFF-QGZVFWFLSA-N
XLogP1.70
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide?
The IUPAC name of N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide (CID 124575491) is N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide.
What is the SMILES notation for N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide?
The canonical SMILES for N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide is Cc1nnc(-c2ccc(NC(=O)C(=O)N[C@@H](CO)Cc3ccccc3)cc2)o1.
What is the InChIKey of N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide?
The InChIKey is LJNTVFOCAYUOFF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-13-23-24-20(28-13)15-7-9-16(10-8-15)21-18(26)19(27)22-17(12-25)11-14-5-3-2-4-6-14/h2-10,17,25H,11-12H2,1H3,(H,21,26)(H,22,27)/t17-/m1/s1.
What are the key properties of N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide?
N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide has a molecular weight of 380.40 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide is sourced from PubChem (CID 124575491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).