N-[1-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide

C18H17N3O3 — CID 122370046

IUPACN-[1-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1nc(-c2ccc(Oc3ccccc3)cc2)no1
InChIInChI=1S/C18H17N3O3/c1-12(19-13(2)22)18-20-17(21-24-18)14-8-10-16(11-9-14)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,19,22)
InChIKeyIKFQWYHFKWRMOO-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.73
Rot. Bonds5

About N-[1-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide

N-[1-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide (PubChem CID 122370046) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[1-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
PubChem CID122370046
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[1-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1nc(-c2ccc(Oc3ccccc3)cc2)no1
InChIInChI=1S/C18H17N3O3/c1-12(19-13(2)22)18-20-17(21-24-18)14-8-10-16(11-9-14)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,19,22)
InChIKeyIKFQWYHFKWRMOO-UHFFFAOYSA-N
XLogP3.73
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[1-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide (CID 122370046) is N-[1-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide is CC(=O)NC(C)c1nc(-c2ccc(Oc3ccccc3)cc2)no1.
What is the InChIKey of N-[1-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The InChIKey is IKFQWYHFKWRMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12(19-13(2)22)18-20-17(21-24-18)14-8-10-16(11-9-14)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,19,22).
What are the key properties of N-[1-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
N-[1-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide has a molecular weight of 323.35 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 122370046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).