5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

C12H13N3O2 — CID 110392803

IUPAC5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1cccc(CNC(=O)c2nnc(C)o2)c1
InChIInChI=1S/C12H13N3O2/c1-8-4-3-5-10(6-8)7-13-11(16)12-15-14-9(2)17-12/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyUAWIPWRVRTVHRE-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.62
Rot. Bonds3

About 5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392803) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392803
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1cccc(CNC(=O)c2nnc(C)o2)c1
InChIInChI=1S/C12H13N3O2/c1-8-4-3-5-10(6-8)7-13-11(16)12-15-14-9(2)17-12/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyUAWIPWRVRTVHRE-UHFFFAOYSA-N
XLogP1.62
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 110393000
(3-methylphenyl)methylurea
CID 60776531
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850770
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
1-methyl-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
CID 110691577
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
3-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(3-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53104936
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 110392803) is 5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is Cc1cccc(CNC(=O)c2nnc(C)o2)c1.
What is the InChIKey of 5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is UAWIPWRVRTVHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-4-3-5-10(6-8)7-13-11(16)12-15-14-9(2)17-12/h3-6H,7H2,1-2H3,(H,13,16).
What are the key properties of 5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).