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

C15H12N2O4S — CID 866200

IUPAC2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
SMILESO=C(O)CSc1nnc(COc2cccc3ccccc23)o1
InChIInChI=1S/C15H12N2O4S/c18-14(19)9-22-15-17-16-13(21-15)8-20-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,18,19)
InChIKeyFKMCNIZNNRWFOL-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.98
Rot. Bonds6

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

2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid (PubChem CID 866200) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
PubChem CID866200
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Name2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
SMILESO=C(O)CSc1nnc(COc2cccc3ccccc23)o1
InChIInChI=1S/C15H12N2O4S/c18-14(19)9-22-15-17-16-13(21-15)8-20-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,18,19)
InChIKeyFKMCNIZNNRWFOL-UHFFFAOYSA-N
XLogP2.98
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.98
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]acetic acid?
The IUPAC name of 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid (CID 866200) is 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid is O=C(O)CSc1nnc(COc2cccc3ccccc23)o1.
What is the InChIKey of 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The InChIKey is FKMCNIZNNRWFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c18-14(19)9-22-15-17-16-13(21-15)8-20-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,18,19).
What are the key properties of 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid has a molecular weight of 316.34 g/mol, XLogP of 2.98, 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]acetic acid is sourced from PubChem (CID 866200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).