2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C10H11N3O3S — CID 17390718

IUPAC2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCc1occc1-c1nnc(SC(C)C(N)=O)o1
InChIInChI=1S/C10H11N3O3S/c1-5-7(3-4-15-5)9-12-13-10(16-9)17-6(2)8(11)14/h3-4,6H,1-2H3,(H2,11,14)
InChIKeyXNWXZTWWUZMGJW-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.60
Rot. Bonds4

About 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 17390718) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID17390718
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCc1occc1-c1nnc(SC(C)C(N)=O)o1
InChIInChI=1S/C10H11N3O3S/c1-5-7(3-4-15-5)9-12-13-10(16-9)17-6(2)8(11)14/h3-4,6H,1-2H3,(H2,11,14)
InChIKeyXNWXZTWWUZMGJW-UHFFFAOYSA-N
XLogP1.60
TPSA95.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 17390718) is 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is Cc1occc1-c1nnc(SC(C)C(N)=O)o1.
What is the InChIKey of 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is XNWXZTWWUZMGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-5-7(3-4-15-5)9-12-13-10(16-9)17-6(2)8(11)14/h3-4,6H,1-2H3,(H2,11,14).
What are the key properties of 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 253.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]propanamide is sourced from PubChem (CID 17390718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).