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

C18H18N4O3 — CID 3073651

IUPACN-[4-[[5-(4-methylanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2nnc(Nc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C18H18N4O3/c1-12-3-5-15(6-4-12)20-18-22-21-17(25-18)11-24-16-9-7-14(8-10-16)19-13(2)23/h3-10H,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyLDKBEXFVGUHDJQ-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.66
Rot. Bonds6

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

N-[4-[[5-(4-methylanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide (PubChem CID 3073651) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[4-[[5-(4-methylanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(4-methylanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide
PubChem CID3073651
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[4-[[5-(4-methylanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2nnc(Nc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C18H18N4O3/c1-12-3-5-15(6-4-12)20-18-22-21-17(25-18)11-24-16-9-7-14(8-10-16)19-13(2)23/h3-10H,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyLDKBEXFVGUHDJQ-UHFFFAOYSA-N
XLogP3.66
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(4-methylanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(4-methylanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide (CID 3073651) is N-[4-[[5-(4-methylanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(4-methylanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(4-methylanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCc2nnc(Nc3ccc(C)cc3)o2)cc1.
What is the InChIKey of N-[4-[[5-(4-methylanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide?
The InChIKey is LDKBEXFVGUHDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12-3-5-15(6-4-12)20-18-22-21-17(25-18)11-24-16-9-7-14(8-10-16)19-13(2)23/h3-10H,11H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of N-[4-[[5-(4-methylanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide?
N-[4-[[5-(4-methylanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide has a molecular weight of 338.37 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(4-methylanilino)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 3073651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).