N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-2-phenylacetamide

C18H17N3O4 — CID 57325525

IUPACN-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-2-phenylacetamide
SMILESCOc1nn(-c2ccc(NC(=O)Cc3ccccc3)c(C)c2)c(=O)o1
InChIInChI=1S/C18H17N3O4/c1-12-10-14(21-18(23)25-17(20-21)24-2)8-9-15(12)19-16(22)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyTYRSXXKVBQHZIC-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.32
Rot. Bonds5

About N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-2-phenylacetamide

N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-2-phenylacetamide (PubChem CID 57325525) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-2-phenylacetamide
PubChem CID57325525
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-2-phenylacetamide
SMILESCOc1nn(-c2ccc(NC(=O)Cc3ccccc3)c(C)c2)c(=O)o1
InChIInChI=1S/C18H17N3O4/c1-12-10-14(21-18(23)25-17(20-21)24-2)8-9-15(12)19-16(22)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyTYRSXXKVBQHZIC-UHFFFAOYSA-N
XLogP2.32
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-2-phenylacetamide?
The IUPAC name of N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-2-phenylacetamide (CID 57325525) is N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-2-phenylacetamide is COc1nn(-c2ccc(NC(=O)Cc3ccccc3)c(C)c2)c(=O)o1.
What is the InChIKey of N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-2-phenylacetamide?
The InChIKey is TYRSXXKVBQHZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-12-10-14(21-18(23)25-17(20-21)24-2)8-9-15(12)19-16(22)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-2-phenylacetamide?
N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-2-phenylacetamide has a molecular weight of 339.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-2-phenylacetamide is sourced from PubChem (CID 57325525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).