3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(4-methoxyphenyl)propan-1-one

C15H16N2O3 — CID 71931985

IUPAC3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCc2nc(C3CC3)no2)cc1
InChIInChI=1S/C15H16N2O3/c1-19-12-6-4-10(5-7-12)13(18)8-9-14-16-15(17-20-14)11-2-3-11/h4-7,11H,2-3,8-9H2,1H3
InChIKeyBNWZQHFJFBIMAQ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.77
Rot. Bonds6

About 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(4-methoxyphenyl)propan-1-one

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(4-methoxyphenyl)propan-1-one (PubChem CID 71931985) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(4-methoxyphenyl)propan-1-one
PubChem CID71931985
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCc2nc(C3CC3)no2)cc1
InChIInChI=1S/C15H16N2O3/c1-19-12-6-4-10(5-7-12)13(18)8-9-14-16-15(17-20-14)11-2-3-11/h4-7,11H,2-3,8-9H2,1H3
InChIKeyBNWZQHFJFBIMAQ-UHFFFAOYSA-N
XLogP2.77
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(4-methoxyphenyl)propan-1-one (CID 71931985) is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)CCc2nc(C3CC3)no2)cc1.
What is the InChIKey of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is BNWZQHFJFBIMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-12-6-4-10(5-7-12)13(18)8-9-14-16-15(17-20-14)11-2-3-11/h4-7,11H,2-3,8-9H2,1H3.
What are the key properties of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(4-methoxyphenyl)propan-1-one?
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 272.30 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 71931985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).