N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide

C9H15N3O3 — CID 91917647

IUPACN-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1noc(COC)n1
InChIInChI=1S/C9H15N3O3/c1-3-8(13)10-5-4-7-11-9(6-14-2)15-12-7/h3-6H2,1-2H3,(H,10,13)
InChIKeyFAJZJRJXQFJBAT-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.28
Rot. Bonds6

About N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide

N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide (PubChem CID 91917647) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide
PubChem CID91917647
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1noc(COC)n1
InChIInChI=1S/C9H15N3O3/c1-3-8(13)10-5-4-7-11-9(6-14-2)15-12-7/h3-6H2,1-2H3,(H,10,13)
InChIKeyFAJZJRJXQFJBAT-UHFFFAOYSA-N
XLogP0.28
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide?
The IUPAC name of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide (CID 91917647) is N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide is CCC(=O)NCCc1noc(COC)n1.
What is the InChIKey of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide?
The InChIKey is FAJZJRJXQFJBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-8(13)10-5-4-7-11-9(6-14-2)15-12-7/h3-6H2,1-2H3,(H,10,13).
What are the key properties of N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide?
N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide has a molecular weight of 213.24 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide is sourced from PubChem (CID 91917647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).