(2R)-1-(3,4-dimethoxyphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one

C18H18N2O5S — CID 52512922

IUPAC(2R)-1-(3,4-dimethoxyphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
SMILESCOc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)o2)cc1OC
InChIInChI=1S/C18H18N2O5S/c1-10-13(7-8-24-10)17-19-20-18(25-17)26-11(2)16(21)12-5-6-14(22-3)15(9-12)23-4/h5-9,11H,1-4H3/t11-/m1/s1
InChIKeyBDTKRCWCFNDNSQ-LLVKDONJSA-N
MW374.42 g/mol
LogP4.02
Rot. Bonds7

About (2R)-1-(3,4-dimethoxyphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one

(2R)-1-(3,4-dimethoxyphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one (PubChem CID 52512922) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is (2R)-1-(3,4-dimethoxyphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(3,4-dimethoxyphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
PubChem CID52512922
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name(2R)-1-(3,4-dimethoxyphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
SMILESCOc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)o2)cc1OC
InChIInChI=1S/C18H18N2O5S/c1-10-13(7-8-24-10)17-19-20-18(25-17)26-11(2)16(21)12-5-6-14(22-3)15(9-12)23-4/h5-9,11H,1-4H3/t11-/m1/s1
InChIKeyBDTKRCWCFNDNSQ-LLVKDONJSA-N
XLogP4.02
TPSA87.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78653631
(2S)-1-(3,4-difluorophenyl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 7458198
(2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 9263980
N-(3-acetylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78659328
2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)propan-1-one
CID 51128680
N-(2,5-difluorophenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78653481
(2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 9262466
(2R)-N-(ethylcarbamoyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 96555802
1-(4-chlorophenyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 16560250
(2R)-1-(4-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 7241900
(2R)-1-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 7556826
(2S)-1-(3,4-dimethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
CID 2080407

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dimethoxyphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one?
The IUPAC name of (2R)-1-(3,4-dimethoxyphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one (CID 52512922) is (2R)-1-(3,4-dimethoxyphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one.
What is the SMILES notation for (2R)-1-(3,4-dimethoxyphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one?
The canonical SMILES for (2R)-1-(3,4-dimethoxyphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one is COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)o2)cc1OC.
What is the InChIKey of (2R)-1-(3,4-dimethoxyphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one?
The InChIKey is BDTKRCWCFNDNSQ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-10-13(7-8-24-10)17-19-20-18(25-17)26-11(2)16(21)12-5-6-14(22-3)15(9-12)23-4/h5-9,11H,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-1-(3,4-dimethoxyphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one?
(2R)-1-(3,4-dimethoxyphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one has a molecular weight of 374.42 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dimethoxyphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one is sourced from PubChem (CID 52512922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).