5-(methoxymethyl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one

C14H13N3O3 — CID 75446523

IUPAC5-(methoxymethyl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one
SMILESCOCc1nn(Cc2ccc3ccccc3n2)c(=O)o1
InChIInChI=1S/C14H13N3O3/c1-19-9-13-16-17(14(18)20-13)8-11-7-6-10-4-2-3-5-12(10)15-11/h2-7H,8-9H2,1H3
InChIKeyUYOONRIKCHNRFN-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.58
Rot. Bonds4

About 5-(methoxymethyl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one

5-(methoxymethyl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one (PubChem CID 75446523) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(methoxymethyl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one
PubChem CID75446523
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name5-(methoxymethyl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one
SMILESCOCc1nn(Cc2ccc3ccccc3n2)c(=O)o1
InChIInChI=1S/C14H13N3O3/c1-19-9-13-16-17(14(18)20-13)8-11-7-6-10-4-2-3-5-12(10)15-11/h2-7H,8-9H2,1H3
InChIKeyUYOONRIKCHNRFN-UHFFFAOYSA-N
XLogP1.58
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(methoxymethyl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one (CID 75446523) is 5-(methoxymethyl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(methoxymethyl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(methoxymethyl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one is COCc1nn(Cc2ccc3ccccc3n2)c(=O)o1.
What is the InChIKey of 5-(methoxymethyl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one?
The InChIKey is UYOONRIKCHNRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-19-9-13-16-17(14(18)20-13)8-11-7-6-10-4-2-3-5-12(10)15-11/h2-7H,8-9H2,1H3.
What are the key properties of 5-(methoxymethyl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one?
5-(methoxymethyl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one has a molecular weight of 271.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 75446523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).