3-amino-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride

C10H19ClN4O2 — CID 71829592

IUPAC3-amino-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride
SMILESCC(C)c1noc(CCNC(=O)CCN)n1.Cl
InChIInChI=1S/C10H18N4O2.ClH/c1-7(2)10-13-9(16-14-10)4-6-12-8(15)3-5-11;/h7H,3-6,11H2,1-2H3,(H,12,15);1H
InChIKeyZBWDZRQTTJEOJD-UHFFFAOYSA-N
MW262.74 g/mol
LogP0.62
Rot. Bonds6

About 3-amino-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride

3-amino-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride (PubChem CID 71829592) has the molecular formula C10H19ClN4O2 and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-amino-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride
PubChem CID71829592
Molecular FormulaC10H19ClN4O2
Molecular Weight262.74 g/mol
Exact Mass262.12
IUPAC Name3-amino-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride
SMILESCC(C)c1noc(CCNC(=O)CCN)n1.Cl
InChIInChI=1S/C10H18N4O2.ClH/c1-7(2)10-13-9(16-14-10)4-6-12-8(15)3-5-11;/h7H,3-6,11H2,1-2H3,(H,12,15);1H
InChIKeyZBWDZRQTTJEOJD-UHFFFAOYSA-N
XLogP0.62
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride (CID 71829592) is 3-amino-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride is CC(C)c1noc(CCNC(=O)CCN)n1.Cl.
What is the InChIKey of 3-amino-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride?
The InChIKey is ZBWDZRQTTJEOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2.ClH/c1-7(2)10-13-9(16-14-10)4-6-12-8(15)3-5-11;/h7H,3-6,11H2,1-2H3,(H,12,15);1H.
What are the key properties of 3-amino-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride?
3-amino-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride has a molecular weight of 262.74 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 71829592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).