N-[4-[[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide

C18H18N4O4 — CID 10428199

IUPACN-[4-[[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide
SMILESCOc1ccc(Nc2nnc(COc3ccc(NC(C)=O)cc3)o2)cc1
InChIInChI=1S/C18H18N4O4/c1-12(23)19-13-5-9-16(10-6-13)25-11-17-21-22-18(26-17)20-14-3-7-15(24-2)8-4-14/h3-10H,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyVABRQPNIQMIZGD-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.36
Rot. Bonds7

About N-[4-[[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide

N-[4-[[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide (PubChem CID 10428199) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[4-[[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide
PubChem CID10428199
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-[4-[[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide
SMILESCOc1ccc(Nc2nnc(COc3ccc(NC(C)=O)cc3)o2)cc1
InChIInChI=1S/C18H18N4O4/c1-12(23)19-13-5-9-16(10-6-13)25-11-17-21-22-18(26-17)20-14-3-7-15(24-2)8-4-14/h3-10H,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyVABRQPNIQMIZGD-UHFFFAOYSA-N
XLogP3.36
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide (CID 10428199) is N-[4-[[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide is COc1ccc(Nc2nnc(COc3ccc(NC(C)=O)cc3)o2)cc1.
What is the InChIKey of N-[4-[[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide?
The InChIKey is VABRQPNIQMIZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-12(23)19-13-5-9-16(10-6-13)25-11-17-21-22-18(26-17)20-14-3-7-15(24-2)8-4-14/h3-10H,11H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of N-[4-[[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide?
N-[4-[[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide has a molecular weight of 354.37 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 10428199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).