2-[4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenoxy]acetamide

C18H17N3O3 — CID 75403914

IUPAC2-[4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNc2cccc(-c3cnco3)c2)cc1
InChIInChI=1S/C18H17N3O3/c19-18(22)11-23-16-6-4-13(5-7-16)9-21-15-3-1-2-14(8-15)17-10-20-12-24-17/h1-8,10,12,21H,9,11H2,(H2,19,22)
InChIKeyPZLDYGUSYJBBRU-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.82
Rot. Bonds7

About 2-[4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenoxy]acetamide

2-[4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenoxy]acetamide (PubChem CID 75403914) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenoxy]acetamide
PubChem CID75403914
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-[4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNc2cccc(-c3cnco3)c2)cc1
InChIInChI=1S/C18H17N3O3/c19-18(22)11-23-16-6-4-13(5-7-16)9-21-15-3-1-2-14(8-15)17-10-20-12-24-17/h1-8,10,12,21H,9,11H2,(H2,19,22)
InChIKeyPZLDYGUSYJBBRU-UHFFFAOYSA-N
XLogP2.82
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenoxy]acetamide (CID 75403914) is 2-[4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenoxy]acetamide is NC(=O)COc1ccc(CNc2cccc(-c3cnco3)c2)cc1.
What is the InChIKey of 2-[4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenoxy]acetamide?
The InChIKey is PZLDYGUSYJBBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c19-18(22)11-23-16-6-4-13(5-7-16)9-21-15-3-1-2-14(8-15)17-10-20-12-24-17/h1-8,10,12,21H,9,11H2,(H2,19,22).
What are the key properties of 2-[4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenoxy]acetamide?
2-[4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenoxy]acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenoxy]acetamide is sourced from PubChem (CID 75403914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).