2-[5-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine

C10H17N3O2 — CID 115027380

IUPAC2-[5-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC1(c2nnc(CCN)o2)CCOCC1
InChIInChI=1S/C10H17N3O2/c1-10(3-6-14-7-4-10)9-13-12-8(15-9)2-5-11/h2-7,11H2,1H3
InChIKeyRHTBYJRKPDDQKS-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.64
Rot. Bonds3

About 2-[5-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine

2-[5-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 115027380) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[5-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID115027380
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[5-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC1(c2nnc(CCN)o2)CCOCC1
InChIInChI=1S/C10H17N3O2/c1-10(3-6-14-7-4-10)9-13-12-8(15-9)2-5-11/h2-7,11H2,1H3
InChIKeyRHTBYJRKPDDQKS-UHFFFAOYSA-N
XLogP0.64
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 115027380) is 2-[5-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CC1(c2nnc(CCN)o2)CCOCC1.
What is the InChIKey of 2-[5-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is RHTBYJRKPDDQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(3-6-14-7-4-10)9-13-12-8(15-9)2-5-11/h2-7,11H2,1H3.
What are the key properties of 2-[5-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 211.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 115027380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).