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

C17H18N4O4 — CID 75475016

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
SMILESCc1nc(C2CCCCCN2C(=O)c2cc(-c3ccco3)on2)no1
InChIInChI=1S/C17H18N4O4/c1-11-18-16(20-24-11)13-6-3-2-4-8-21(13)17(22)12-10-15(25-19-12)14-7-5-9-23-14/h5,7,9-10,13H,2-4,6,8H2,1H3
InChIKeyDSYHRAMDRMUHSL-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.38
Rot. Bonds3

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

[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone (PubChem CID 75475016) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
PubChem CID75475016
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
SMILESCc1nc(C2CCCCCN2C(=O)c2cc(-c3ccco3)on2)no1
InChIInChI=1S/C17H18N4O4/c1-11-18-16(20-24-11)13-6-3-2-4-8-21(13)17(22)12-10-15(25-19-12)14-7-5-9-23-14/h5,7,9-10,13H,2-4,6,8H2,1H3
InChIKeyDSYHRAMDRMUHSL-UHFFFAOYSA-N
XLogP3.38
TPSA98.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856580
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856579
[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 97345421
(2-ethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 46087375
1-[4-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]phenyl]ethanone
CID 97345395
[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 97345408
cyclobutyl-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95841655
(2R)-N-(2,6-dimethylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 97343637
1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid
CID 43171030
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-methylphenyl)azepane-1-carboxamide
CID 75473868
[6-(dimethylamino)-3-pyridinyl]-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345379
(2R)-N-(2,6-difluorophenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 97343554

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone (CID 75475016) is [5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone is Cc1nc(C2CCCCCN2C(=O)c2cc(-c3ccco3)on2)no1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The InChIKey is DSYHRAMDRMUHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-11-18-16(20-24-11)13-6-3-2-4-8-21(13)17(22)12-10-15(25-19-12)14-7-5-9-23-14/h5,7,9-10,13H,2-4,6,8H2,1H3.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone has a molecular weight of 342.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone is sourced from PubChem (CID 75475016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).