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

C13H15N3O2 — CID 16854752

IUPAC2-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1cccc(-c2nnc(NC(=O)C(C)C)o2)c1
InChIInChI=1S/C13H15N3O2/c1-8(2)11(17)14-13-16-15-12(18-13)10-6-4-5-9(3)7-10/h4-8H,1-3H3,(H,14,16,17)
InChIKeyXTECFHMTBAIVRV-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.64
Rot. Bonds3

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

2-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 16854752) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID16854752
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1cccc(-c2nnc(NC(=O)C(C)C)o2)c1
InChIInChI=1S/C13H15N3O2/c1-8(2)11(17)14-13-16-15-12(18-13)10-6-4-5-9(3)7-10/h4-8H,1-3H3,(H,14,16,17)
InChIKeyXTECFHMTBAIVRV-UHFFFAOYSA-N
XLogP2.64
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16854563
2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16854851
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 16854750
5-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 16854864
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 16854802
2,5-dichloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
CID 16854738
2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41228861
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 46466143
3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686300
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43976122
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43971804
2-(4-methoxy-3-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16854865

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 16854752) is 2-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1cccc(-c2nnc(NC(=O)C(C)C)o2)c1.
What is the InChIKey of 2-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is XTECFHMTBAIVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8(2)11(17)14-13-16-15-12(18-13)10-6-4-5-9(3)7-10/h4-8H,1-3H3,(H,14,16,17).
What are the key properties of 2-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
2-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 245.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 16854752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).