[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone

C17H16N2O4S — CID 99878776

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone
SMILESO=C(c1cc(-c2ccco2)on1)N1CCS[C@@H](c2ccco2)CC1
InChIInChI=1S/C17H16N2O4S/c20-17(12-11-15(23-18-12)13-3-1-8-21-13)19-6-5-16(24-10-7-19)14-4-2-9-22-14/h1-4,8-9,11,16H,5-7,10H2/t16-/m1/s1
InChIKeyBOYYGJAEBAZTDS-MRXNPFEDSA-N
MW344.39 g/mol
LogP3.85
Rot. Bonds3

About [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone

[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone (PubChem CID 99878776) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone
PubChem CID99878776
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone
SMILESO=C(c1cc(-c2ccco2)on1)N1CCS[C@@H](c2ccco2)CC1
InChIInChI=1S/C17H16N2O4S/c20-17(12-11-15(23-18-12)13-3-1-8-21-13)19-6-5-16(24-10-7-19)14-4-2-9-22-14/h1-4,8-9,11,16H,5-7,10H2/t16-/m1/s1
InChIKeyBOYYGJAEBAZTDS-MRXNPFEDSA-N
XLogP3.85
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone with MolForge

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Related Compounds

[7-(furan-2-yl)-1,4-thiazepan-4-yl]-quinoxalin-2-ylmethanone
CID 90632231
1-[(7S)-7-(furan-2-yl)-1,4-thiazepan-4-yl]-2,2-dimethylpropan-1-one
CID 99878802
[7-(furan-2-yl)-1,4-thiazepan-4-yl]-(3-iodophenyl)methanone
CID 90632289
(2,5-dichlorophenyl)-[7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone
CID 72720400
[7-(furan-2-yl)-1,4-thiazepan-4-yl]-(2-iodophenyl)methanone
CID 90632143
[7-(furan-2-yl)-1,4-thiazepan-4-yl]-(3-nitrophenyl)methanone
CID 90632150
(5-bromofuran-2-yl)-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone
CID 99878861
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone
CID 167750688
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584589
[7-(furan-2-yl)-1,4-thiazepan-4-yl]-(1H-indol-2-yl)methanone
CID 90632059
1-[7-(furan-2-yl)-1,4-thiazepan-4-yl]-3-methylbut-2-en-1-one
CID 90632272
3H-benzimidazol-5-yl-[7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone
CID 90632074

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone (CID 99878776) is [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone is O=C(c1cc(-c2ccco2)on1)N1CCS[C@@H](c2ccco2)CC1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone?
The InChIKey is BOYYGJAEBAZTDS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16N2O4S/c20-17(12-11-15(23-18-12)13-3-1-8-21-13)19-6-5-16(24-10-7-19)14-4-2-9-22-14/h1-4,8-9,11,16H,5-7,10H2/t16-/m1/s1.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone?
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone has a molecular weight of 344.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone is sourced from PubChem (CID 99878776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).