2-methyl-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide

C12H14N4O2 — CID 110318515

IUPAC2-methyl-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESCC(C)C(=O)NCc1nnc(-c2ccccn2)o1
InChIInChI=1S/C12H14N4O2/c1-8(2)11(17)14-7-10-15-16-12(18-10)9-5-3-4-6-13-9/h3-6,8H,7H2,1-2H3,(H,14,17)
InChIKeyITFCZOIHWMYJHQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.40
Rot. Bonds4

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

2-methyl-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide (PubChem CID 110318515) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-methyl-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide
PubChem CID110318515
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-methyl-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESCC(C)C(=O)NCc1nnc(-c2ccccn2)o1
InChIInChI=1S/C12H14N4O2/c1-8(2)11(17)14-7-10-15-16-12(18-10)9-5-3-4-6-13-9/h3-6,8H,7H2,1-2H3,(H,14,17)
InChIKeyITFCZOIHWMYJHQ-UHFFFAOYSA-N
XLogP1.40
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318527
2-chloro-6-fluoro-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318570
N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
CID 62137410
2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethanol
CID 83530769
methyl 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoate
CID 59027826
N-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330217
2-(4-chlorophenyl)-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 110320533
5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 54929886
2-(4-methylphenoxy)-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 110320557
N-phenyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330293
N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330251
N-(4-propan-2-yloxyphenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330322

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide (CID 110318515) is 2-methyl-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide is CC(C)C(=O)NCc1nnc(-c2ccccn2)o1.
What is the InChIKey of 2-methyl-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The InChIKey is ITFCZOIHWMYJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8(2)11(17)14-7-10-15-16-12(18-10)9-5-3-4-6-13-9/h3-6,8H,7H2,1-2H3,(H,14,17).
What are the key properties of 2-methyl-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
2-methyl-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide has a molecular weight of 246.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 110318515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).