1-[4-(dimethylamino)-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone

C16H21N3O3 — CID 75522078

IUPAC1-[4-(dimethylamino)-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)C)cc1OCc1noc(C(C)C)n1
InChIInChI=1S/C16H21N3O3/c1-10(2)16-17-15(18-22-16)9-21-14-8-12(19(4)5)6-7-13(14)11(3)20/h6-8,10H,9H2,1-5H3
InChIKeyVUUKNZLYOSOGKC-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.04
Rot. Bonds6

About 1-[4-(dimethylamino)-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone

1-[4-(dimethylamino)-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone (PubChem CID 75522078) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone
PubChem CID75522078
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-[4-(dimethylamino)-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)C)cc1OCc1noc(C(C)C)n1
InChIInChI=1S/C16H21N3O3/c1-10(2)16-17-15(18-22-16)9-21-14-8-12(19(4)5)6-7-13(14)11(3)20/h6-8,10H,9H2,1-5H3
InChIKeyVUUKNZLYOSOGKC-UHFFFAOYSA-N
XLogP3.04
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-(dimethylamino)-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone (CID 75522078) is 1-[4-(dimethylamino)-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-(dimethylamino)-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-(dimethylamino)-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone is CC(=O)c1ccc(N(C)C)cc1OCc1noc(C(C)C)n1.
What is the InChIKey of 1-[4-(dimethylamino)-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone?
The InChIKey is VUUKNZLYOSOGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10(2)16-17-15(18-22-16)9-21-14-8-12(19(4)5)6-7-13(14)11(3)20/h6-8,10H,9H2,1-5H3.
What are the key properties of 1-[4-(dimethylamino)-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone?
1-[4-(dimethylamino)-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone has a molecular weight of 303.36 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 75522078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).