[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone

C19H23N3O3 — CID 124888579

IUPAC[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCCC[C@@H]1c1ncon1
InChIInChI=1S/C19H23N3O3/c1-24-17-9-5-4-7-13(17)14-11-15(14)19(23)22-10-6-2-3-8-16(22)18-20-12-25-21-18/h4-5,7,9,12,14-16H,2-3,6,8,10-11H2,1H3/t14-,15+,16+/m0/s1
InChIKeyKWLVNUIZMQBRRH-ARFHVFGLSA-N
MW341.41 g/mol
LogP3.33
Rot. Bonds4

About [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone

[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone (PubChem CID 124888579) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
PubChem CID124888579
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCCC[C@@H]1c1ncon1
InChIInChI=1S/C19H23N3O3/c1-24-17-9-5-4-7-13(17)14-11-15(14)19(23)22-10-6-2-3-8-16(22)18-20-12-25-21-18/h4-5,7,9,12,14-16H,2-3,6,8,10-11H2,1H3/t14-,15+,16+/m0/s1
InChIKeyKWLVNUIZMQBRRH-ARFHVFGLSA-N
XLogP3.33
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-cyclopropyl-4-methoxyphenyl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 125139175
2-(2-methoxy-5-methylphenyl)-1-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 136534988
N,N-dimethyl-2-(1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 91650313
[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 124890168
[(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 97217119
(4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 95284754
1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 166211162
[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95346461
[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 129428643
(3-methoxy-4-methyl-5-nitrophenyl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 124619794
(3-chlorophenyl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 124617199
(3,5-dimethylfuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 99778689

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The IUPAC name of [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone (CID 124888579) is [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone.
What is the SMILES notation for [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The canonical SMILES for [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone is COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCCC[C@@H]1c1ncon1.
What is the InChIKey of [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The InChIKey is KWLVNUIZMQBRRH-ARFHVFGLSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-17-9-5-4-7-13(17)14-11-15(14)19(23)22-10-6-2-3-8-16(22)18-20-12-25-21-18/h4-5,7,9,12,14-16H,2-3,6,8,10-11H2,1H3/t14-,15+,16+/m0/s1.
What are the key properties of [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone is sourced from PubChem (CID 124888579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).