[5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone

C18H25N3O4 — CID 97345500

IUPAC[5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCCCC[C@H]2c2noc(C(C)C)n2)o1
InChIInChI=1S/C18H25N3O4/c1-12(2)17-19-16(20-25-17)14-7-5-4-6-10-21(14)18(22)15-9-8-13(24-15)11-23-3/h8-9,12,14H,4-7,10-11H2,1-3H3/t14-/m0/s1
InChIKeyDOOGTUNBXOHVPV-AWEZNQCLSA-N
MW347.42 g/mol
LogP3.69
Rot. Bonds5

About [5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone

[5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone (PubChem CID 97345500) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is [5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone.

Molecular Properties

Compound Name[5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
PubChem CID97345500
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name[5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCCCC[C@H]2c2noc(C(C)C)n2)o1
InChIInChI=1S/C18H25N3O4/c1-12(2)17-19-16(20-25-17)14-7-5-4-6-10-21(14)18(22)15-9-8-13(24-15)11-23-3/h8-9,12,14H,4-7,10-11H2,1-3H3/t14-/m0/s1
InChIKeyDOOGTUNBXOHVPV-AWEZNQCLSA-N
XLogP3.69
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone
CID 97345487
[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 75475057
(2-fluoro-4-pyridinyl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345492
1-cyclopropyl-5-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pentane-1,5-dione
CID 166235513
[2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 78840753
[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-phenylmethanone
CID 75475073
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 96996542
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779584
2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 164642495
(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345489
1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355659
(3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 164628420

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The IUPAC name of [5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone (CID 97345500) is [5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone.
What is the SMILES notation for [5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The canonical SMILES for [5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone is COCc1ccc(C(=O)N2CCCCC[C@H]2c2noc(C(C)C)n2)o1.
What is the InChIKey of [5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The InChIKey is DOOGTUNBXOHVPV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12(2)17-19-16(20-25-17)14-7-5-4-6-10-21(14)18(22)15-9-8-13(24-15)11-23-3/h8-9,12,14H,4-7,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of [5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
[5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone has a molecular weight of 347.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone is sourced from PubChem (CID 97345500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).