5-(methoxymethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine

C14H19N3O2 — CID 137339880

IUPAC5-(methoxymethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOCc1nnc(NC(C)CCc2ccccc2)o1
InChIInChI=1S/C14H19N3O2/c1-11(8-9-12-6-4-3-5-7-12)15-14-17-16-13(19-14)10-18-2/h3-7,11H,8-10H2,1-2H3,(H,15,17)
InChIKeyKULIICUGLCLSEP-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.65
Rot. Bonds7

About 5-(methoxymethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine

5-(methoxymethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 137339880) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(methoxymethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID137339880
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-(methoxymethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOCc1nnc(NC(C)CCc2ccccc2)o1
InChIInChI=1S/C14H19N3O2/c1-11(8-9-12-6-4-3-5-7-12)15-14-17-16-13(19-14)10-18-2/h3-7,11H,8-10H2,1-2H3,(H,15,17)
InChIKeyKULIICUGLCLSEP-UHFFFAOYSA-N
XLogP2.65
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(methoxymethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine (CID 137339880) is 5-(methoxymethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(methoxymethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(methoxymethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine is COCc1nnc(NC(C)CCc2ccccc2)o1.
What is the InChIKey of 5-(methoxymethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is KULIICUGLCLSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(8-9-12-6-4-3-5-7-12)15-14-17-16-13(19-14)10-18-2/h3-7,11H,8-10H2,1-2H3,(H,15,17).
What are the key properties of 5-(methoxymethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
5-(methoxymethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 261.32 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 137339880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).