2-[N-(1-hydroxybutan-2-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C16H21N3O3 — CID 111543415

IUPAC2-[N-(1-hydroxybutan-2-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCCC(CO)N(CC(=O)Nc1cc(C)no1)c1ccccc1
InChIInChI=1S/C16H21N3O3/c1-3-13(11-20)19(14-7-5-4-6-8-14)10-15(21)17-16-9-12(2)18-22-16/h4-9,13,20H,3,10-11H2,1-2H3,(H,17,21)
InChIKeyCEEKDGABGYEPIC-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.20
Rot. Bonds7

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

2-[N-(1-hydroxybutan-2-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 111543415) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[N-(1-hydroxybutan-2-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[N-(1-hydroxybutan-2-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID111543415
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-[N-(1-hydroxybutan-2-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCCC(CO)N(CC(=O)Nc1cc(C)no1)c1ccccc1
InChIInChI=1S/C16H21N3O3/c1-3-13(11-20)19(14-7-5-4-6-8-14)10-15(21)17-16-9-12(2)18-22-16/h4-9,13,20H,3,10-11H2,1-2H3,(H,17,21)
InChIKeyCEEKDGABGYEPIC-UHFFFAOYSA-N
XLogP2.20
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(1-hydroxybutan-2-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[N-(1-hydroxybutan-2-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 111543415) is 2-[N-(1-hydroxybutan-2-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[N-(1-hydroxybutan-2-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[N-(1-hydroxybutan-2-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is CCC(CO)N(CC(=O)Nc1cc(C)no1)c1ccccc1.
What is the InChIKey of 2-[N-(1-hydroxybutan-2-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is CEEKDGABGYEPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-13(11-20)19(14-7-5-4-6-8-14)10-15(21)17-16-9-12(2)18-22-16/h4-9,13,20H,3,10-11H2,1-2H3,(H,17,21).
What are the key properties of 2-[N-(1-hydroxybutan-2-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-[N-(1-hydroxybutan-2-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 303.36 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(1-hydroxybutan-2-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 111543415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).