2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide

C19H16N4O4S — CID 17424242

IUPAC2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCc1ccc(-c2cc(NC(=O)CSc3nnc(-c4ccoc4C)o3)on2)cc1
InChIInChI=1S/C19H16N4O4S/c1-11-3-5-13(6-4-11)15-9-17(27-23-15)20-16(24)10-28-19-22-21-18(26-19)14-7-8-25-12(14)2/h3-9H,10H2,1-2H3,(H,20,24)
InChIKeyPEKSAVCUGOEOGP-UHFFFAOYSA-N
MW396.43 g/mol
LogP4.33
Rot. Bonds6

About 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide

2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 17424242) has the molecular formula C19H16N4O4S and a molecular weight of 396.43 g/mol. Its IUPAC name is 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
PubChem CID17424242
Molecular FormulaC19H16N4O4S
Molecular Weight396.43 g/mol
Exact Mass396.09
IUPAC Name2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCc1ccc(-c2cc(NC(=O)CSc3nnc(-c4ccoc4C)o3)on2)cc1
InChIInChI=1S/C19H16N4O4S/c1-11-3-5-13(6-4-11)15-9-17(27-23-15)20-16(24)10-28-19-22-21-18(26-19)14-7-8-25-12(14)2/h3-9H,10H2,1-2H3,(H,20,24)
InChIKeyPEKSAVCUGOEOGP-UHFFFAOYSA-N
XLogP4.33
TPSA107.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 5030464
N-[4-(dimethylamino)phenyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7835320
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 6473393
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 78659380
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78807733
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
CID 42894215
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 7835317
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 17461667
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9405111
tert-butyl 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 78763965
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9404917
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3940860

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide (CID 17424242) is 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide is Cc1ccc(-c2cc(NC(=O)CSc3nnc(-c4ccoc4C)o3)on2)cc1.
What is the InChIKey of 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is PEKSAVCUGOEOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S/c1-11-3-5-13(6-4-11)15-9-17(27-23-15)20-16(24)10-28-19-22-21-18(26-19)14-7-8-25-12(14)2/h3-9H,10H2,1-2H3,(H,20,24).
What are the key properties of 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 396.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 17424242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).