2-[4-(methylamino)phenoxy]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

C15H19N3O3 — CID 61027966

IUPAC2-[4-(methylamino)phenoxy]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCNc1ccc(OCC(=O)Nc2cc(C(C)C)no2)cc1
InChIInChI=1S/C15H19N3O3/c1-10(2)13-8-15(21-18-13)17-14(19)9-20-12-6-4-11(16-3)5-7-12/h4-8,10,16H,9H2,1-3H3,(H,17,19)
InChIKeyPNKHMNBDXWZSNW-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.86
Rot. Bonds6

About 2-[4-(methylamino)phenoxy]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

2-[4-(methylamino)phenoxy]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (PubChem CID 61027966) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[4-(methylamino)phenoxy]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(methylamino)phenoxy]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
PubChem CID61027966
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[4-(methylamino)phenoxy]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCNc1ccc(OCC(=O)Nc2cc(C(C)C)no2)cc1
InChIInChI=1S/C15H19N3O3/c1-10(2)13-8-15(21-18-13)17-14(19)9-20-12-6-4-11(16-3)5-7-12/h4-8,10,16H,9H2,1-3H3,(H,17,19)
InChIKeyPNKHMNBDXWZSNW-UHFFFAOYSA-N
XLogP2.86
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)phenoxy]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[4-(methylamino)phenoxy]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (CID 61027966) is 2-[4-(methylamino)phenoxy]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(methylamino)phenoxy]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[4-(methylamino)phenoxy]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is CNc1ccc(OCC(=O)Nc2cc(C(C)C)no2)cc1.
What is the InChIKey of 2-[4-(methylamino)phenoxy]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The InChIKey is PNKHMNBDXWZSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(2)13-8-15(21-18-13)17-14(19)9-20-12-6-4-11(16-3)5-7-12/h4-8,10,16H,9H2,1-3H3,(H,17,19).
What are the key properties of 2-[4-(methylamino)phenoxy]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
2-[4-(methylamino)phenoxy]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide has a molecular weight of 289.33 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)phenoxy]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 61027966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).