2-(4-tert-butylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C16H20N2O3 — CID 808397

IUPAC2-(4-tert-butylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C16H20N2O3/c1-11-9-14(18-21-11)17-15(19)10-20-13-7-5-12(6-8-13)16(2,3)4/h5-9H,10H2,1-4H3,(H,17,18,19)
InChIKeyHBSMTMHIWXMINU-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.30
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(4-tert-butylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 808397) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID808397
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-(4-tert-butylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C16H20N2O3/c1-11-9-14(18-21-11)17-15(19)10-20-13-7-5-12(6-8-13)16(2,3)4/h5-9H,10H2,1-4H3,(H,17,18,19)
InChIKeyHBSMTMHIWXMINU-UHFFFAOYSA-N
XLogP3.30
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 808397) is 2-(4-tert-butylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)no1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is HBSMTMHIWXMINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-9-14(18-21-11)17-15(19)10-20-13-7-5-12(6-8-13)16(2,3)4/h5-9H,10H2,1-4H3,(H,17,18,19).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(4-tert-butylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 808397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).