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

C8H13N3O2 — CID 103744047

IUPAC2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCc1ncno1
InChIInChI=1S/C8H13N3O2/c1-6(2)8(12)9-4-3-7-10-5-11-13-7/h5-6H,3-4H2,1-2H3,(H,9,12)
InChIKeyNPDQNRXURGARAT-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.38
Rot. Bonds4

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

2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 103744047) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID103744047
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCc1ncno1
InChIInChI=1S/C8H13N3O2/c1-6(2)8(12)9-4-3-7-10-5-11-13-7/h5-6H,3-4H2,1-2H3,(H,9,12)
InChIKeyNPDQNRXURGARAT-UHFFFAOYSA-N
XLogP0.38
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-Ethyl-1,2,4-oxadiazol-5-yl)-1,4,5,6-tetrahydropyrimidine
CID 9815409
5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahydro-pyrimidine; TFA
CID 9838581
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 71755598
2,2-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 103603973
N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanecarboxamide
CID 71876997
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine
CID 28924762
5-(3-Ethyl-1,2,4-oxadiazol-5-yl)-1,4,5,6-tetrahydropyrimidine hydrochloride
CID 44472513
3-Propyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 10104084
3-Propan-2-yl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 10750333
2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103744046
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744050
1-[2-(1,2,4-Oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 103744177

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 103744047) is 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide is CC(C)C(=O)NCCc1ncno1.
What is the InChIKey of 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is NPDQNRXURGARAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(2)8(12)9-4-3-7-10-5-11-13-7/h5-6H,3-4H2,1-2H3,(H,9,12).
What are the key properties of 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 183.21 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 103744047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).