N-cyclohexyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C14H17N3O3S — CID 602712

IUPACN-cyclohexyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccco2)o1)NC1CCCCC1
InChIInChI=1S/C14H17N3O3S/c18-12(15-10-5-2-1-3-6-10)9-21-14-17-16-13(20-14)11-7-4-8-19-11/h4,7-8,10H,1-3,5-6,9H2,(H,15,18)
InChIKeyTULOHQMLGNXALJ-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.87
Rot. Bonds5

About N-cyclohexyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-cyclohexyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 602712) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-cyclohexyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID602712
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-cyclohexyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccco2)o1)NC1CCCCC1
InChIInChI=1S/C14H17N3O3S/c18-12(15-10-5-2-1-3-6-10)9-21-14-17-16-13(20-14)11-7-4-8-19-11/h4,7-8,10H,1-3,5-6,9H2,(H,15,18)
InChIKeyTULOHQMLGNXALJ-UHFFFAOYSA-N
XLogP2.87
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 602712) is N-cyclohexyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(-c2ccco2)o1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is TULOHQMLGNXALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c18-12(15-10-5-2-1-3-6-10)9-21-14-17-16-13(20-14)11-7-4-8-19-11/h4,7-8,10H,1-3,5-6,9H2,(H,15,18).
What are the key properties of N-cyclohexyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-cyclohexyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 307.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 602712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).