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

C14H18N4O2 — CID 119340836

IUPAC(2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESCC(NC(=O)[C@@H](C)N)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C14H18N4O2/c1-9(15)14(19)16-10(2)13-17-12(20-18-13)8-11-6-4-3-5-7-11/h3-7,9-10H,8,15H2,1-2H3,(H,16,19)/t9-,10?/m1/s1
InChIKeyKCDRCIUVWOKEHY-YHMJZVADSA-N
MW274.32 g/mol
LogP1.18
Rot. Bonds5

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

(2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide (PubChem CID 119340836) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
PubChem CID119340836
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESCC(NC(=O)[C@@H](C)N)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C14H18N4O2/c1-9(15)14(19)16-10(2)13-17-12(20-18-13)8-11-6-4-3-5-7-11/h3-7,9-10H,8,15H2,1-2H3,(H,16,19)/t9-,10?/m1/s1
InChIKeyKCDRCIUVWOKEHY-YHMJZVADSA-N
XLogP1.18
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide (CID 119340836) is (2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide is CC(NC(=O)[C@@H](C)N)c1noc(Cc2ccccc2)n1.
What is the InChIKey of (2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The InChIKey is KCDRCIUVWOKEHY-YHMJZVADSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9(15)14(19)16-10(2)13-17-12(20-18-13)8-11-6-4-3-5-7-11/h3-7,9-10H,8,15H2,1-2H3,(H,16,19)/t9-,10?/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
(2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide has a molecular weight of 274.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 119340836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).