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

C9H15N3O2 — CID 58129259

IUPAC2,2-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESCc1nnc(CNC(=O)C(C)(C)C)o1
InChIInChI=1S/C9H15N3O2/c1-6-11-12-7(14-6)5-10-8(13)9(2,3)4/h5H2,1-4H3,(H,10,13)
InChIKeyFKDPEESGHGXQGW-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.04
Rot. Bonds2

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

2,2-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide (PubChem CID 58129259) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
PubChem CID58129259
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2,2-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESCc1nnc(CNC(=O)C(C)(C)C)o1
InChIInChI=1S/C9H15N3O2/c1-6-11-12-7(14-6)5-10-8(13)9(2,3)4/h5H2,1-4H3,(H,10,13)
InChIKeyFKDPEESGHGXQGW-UHFFFAOYSA-N
XLogP1.04
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide (CID 58129259) is 2,2-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide is Cc1nnc(CNC(=O)C(C)(C)C)o1.
What is the InChIKey of 2,2-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The InChIKey is FKDPEESGHGXQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-11-12-7(14-6)5-10-8(13)9(2,3)4/h5H2,1-4H3,(H,10,13).
What are the key properties of 2,2-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
2,2-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide has a molecular weight of 197.24 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 58129259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).