[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone

C21H22N2O4 — CID 121146878

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone
SMILESCOc1ccc(C2CCCCN(C(=O)c3cc(-c4ccco4)on3)C2)cc1
InChIInChI=1S/C21H22N2O4/c1-25-17-9-7-15(8-10-17)16-5-2-3-11-23(14-16)21(24)18-13-20(27-22-18)19-6-4-12-26-19/h4,6-10,12-13,16H,2-3,5,11,14H2,1H3
InChIKeyVAJHDODMKGEGMF-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.35
Rot. Bonds4

About [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone

[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone (PubChem CID 121146878) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone
PubChem CID121146878
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone
SMILESCOc1ccc(C2CCCCN(C(=O)c3cc(-c4ccco4)on3)C2)cc1
InChIInChI=1S/C21H22N2O4/c1-25-17-9-7-15(8-10-17)16-5-2-3-11-23(14-16)21(24)18-13-20(27-22-18)19-6-4-12-26-19/h4,6-10,12-13,16H,2-3,5,11,14H2,1H3
InChIKeyVAJHDODMKGEGMF-UHFFFAOYSA-N
XLogP4.35
TPSA68.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone with MolForge

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Related Compounds

1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid
CID 43171030
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493226
(3-aminopiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 119381326
[(3S)-3-(4-methoxyphenyl)azepan-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 99876778
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255659
[3-(4-methoxyphenyl)azepan-1-yl]-naphthalen-2-ylmethanone
CID 121146989
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584589
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95280828
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134791
[(3R)-3-(4-methoxyphenyl)azepan-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 99876836
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95286307
[3-(4-methoxyphenyl)azepan-1-yl]-(2-methylphenyl)methanone
CID 121146942

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone (CID 121146878) is [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone is COc1ccc(C2CCCCN(C(=O)c3cc(-c4ccco4)on3)C2)cc1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone?
The InChIKey is VAJHDODMKGEGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-25-17-9-7-15(8-10-17)16-5-2-3-11-23(14-16)21(24)18-13-20(27-22-18)19-6-4-12-26-19/h4,6-10,12-13,16H,2-3,5,11,14H2,1H3.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone?
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone has a molecular weight of 366.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone is sourced from PubChem (CID 121146878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).