2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C15H13N3O3S — CID 855965

IUPAC2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nnc(COc2cccc3ccccc23)o1
InChIInChI=1S/C15H13N3O3S/c16-13(19)9-22-15-18-17-14(21-15)8-20-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H2,16,19)
InChIKeyPSJAQUMALPGXCZ-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.38
Rot. Bonds6

About 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 855965) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID855965
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nnc(COc2cccc3ccccc23)o1
InChIInChI=1S/C15H13N3O3S/c16-13(19)9-22-15-18-17-14(21-15)8-20-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H2,16,19)
InChIKeyPSJAQUMALPGXCZ-UHFFFAOYSA-N
XLogP2.38
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 855965) is 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is NC(=O)CSc1nnc(COc2cccc3ccccc23)o1.
What is the InChIKey of 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is PSJAQUMALPGXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c16-13(19)9-22-15-18-17-14(21-15)8-20-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H2,16,19).
What are the key properties of 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 315.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 855965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).