2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one

C16H18N2O3 — CID 116732656

IUPAC2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one
SMILESCOC(c1noc(C(C)C(=O)c2ccccc2)n1)C1CC1
InChIInChI=1S/C16H18N2O3/c1-10(13(19)11-6-4-3-5-7-11)16-17-15(18-21-16)14(20-2)12-8-9-12/h3-7,10,12,14H,8-9H2,1-2H3
InChIKeyRCSGUQCWCARCKS-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.15
Rot. Bonds6

About 2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one

2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one (PubChem CID 116732656) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one
PubChem CID116732656
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one
SMILESCOC(c1noc(C(C)C(=O)c2ccccc2)n1)C1CC1
InChIInChI=1S/C16H18N2O3/c1-10(13(19)11-6-4-3-5-7-11)16-17-15(18-21-16)14(20-2)12-8-9-12/h3-7,10,12,14H,8-9H2,1-2H3
InChIKeyRCSGUQCWCARCKS-UHFFFAOYSA-N
XLogP3.15
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 116732654
2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one
CID 113460238
2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one
CID 104847279
(1S)-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 104983509
(1S)-2-amino-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 107837305
[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 116733877
2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813550
N-[3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]propyl]aniline
CID 116703413
1-amino-1-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116743520
phenyl-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]methanone
CID 95142062
3-[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 112743797
2-[5-[butan-2-yl(methyl)amino]-1,2,4-oxadiazol-3-yl]-1-phenylpropan-1-one
CID 70557145

Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one?
The IUPAC name of 2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one (CID 116732656) is 2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one.
What is the SMILES notation for 2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one?
The canonical SMILES for 2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one is COC(c1noc(C(C)C(=O)c2ccccc2)n1)C1CC1.
What is the InChIKey of 2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one?
The InChIKey is RCSGUQCWCARCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10(13(19)11-6-4-3-5-7-11)16-17-15(18-21-16)14(20-2)12-8-9-12/h3-7,10,12,14H,8-9H2,1-2H3.
What are the key properties of 2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one?
2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one has a molecular weight of 286.33 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one is sourced from PubChem (CID 116732656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).