3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

C8H15N3O2 — CID 62589148

IUPAC3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCOCCc1nnc(CCCN)o1
InChIInChI=1S/C8H15N3O2/c1-12-6-4-8-11-10-7(13-8)3-2-5-9/h2-6,9H2,1H3
InChIKeyZTNFTNGRZMPOTR-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.15
Rot. Bonds6

About 3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 62589148) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID62589148
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCOCCc1nnc(CCCN)o1
InChIInChI=1S/C8H15N3O2/c1-12-6-4-8-11-10-7(13-8)3-2-5-9/h2-6,9H2,1H3
InChIKeyZTNFTNGRZMPOTR-UHFFFAOYSA-N
XLogP0.15
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 62589148) is 3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is COCCc1nnc(CCCN)o1.
What is the InChIKey of 3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is ZTNFTNGRZMPOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-12-6-4-8-11-10-7(13-8)3-2-5-9/h2-6,9H2,1H3.
What are the key properties of 3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 185.23 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 62589148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).