N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

C12H13N3O2 — CID 3159503

IUPACN-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCNC(=O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C12H13N3O2/c1-13-10(16)7-8-11-14-12(15-17-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,16)
InChIKeyMDEKAENMKLCCIL-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.42
Rot. Bonds4

About N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 3159503) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID3159503
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC NameN-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCNC(=O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C12H13N3O2/c1-13-10(16)7-8-11-14-12(15-17-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,16)
InChIKeyMDEKAENMKLCCIL-UHFFFAOYSA-N
XLogP1.42
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 3159503) is N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is CNC(=O)CCc1nc(-c2ccccc2)no1.
What is the InChIKey of N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is MDEKAENMKLCCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-13-10(16)7-8-11-14-12(15-17-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,16).
What are the key properties of N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 231.26 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 3159503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).