3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide

C12H12N4O3 — CID 68670377

IUPAC3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide
SMILESCc1nnc(CNC(=O)c2cccc(C(N)=O)c2)o1
InChIInChI=1S/C12H12N4O3/c1-7-15-16-10(19-7)6-14-12(18)9-4-2-3-8(5-9)11(13)17/h2-5H,6H2,1H3,(H2,13,17)(H,14,18)
InChIKeyCCUVOIDBBQJSBC-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.41
Rot. Bonds4

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

3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide (PubChem CID 68670377) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide
PubChem CID68670377
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide
SMILESCc1nnc(CNC(=O)c2cccc(C(N)=O)c2)o1
InChIInChI=1S/C12H12N4O3/c1-7-15-16-10(19-7)6-14-12(18)9-4-2-3-8(5-9)11(13)17/h2-5H,6H2,1H3,(H2,13,17)(H,14,18)
InChIKeyCCUVOIDBBQJSBC-UHFFFAOYSA-N
XLogP0.41
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(propanoylamino)benzamide
CID 46998360
3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318313
3-N-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 140556514
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 166185552
3-carbamothioyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106372305
(5-methyl-1,3,4-oxadiazol-2-yl)methylurea
CID 130738422
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]furan-2-carboxamide
CID 75357594
6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyran-2-carboxamide
CID 86287074
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(3-methylbenzoyl)amino]propanoate
CID 26682168
2-chloro-6-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318346
1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318337
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylbenzamide
CID 110319780

Frequently Asked Questions

What is the IUPAC name of 3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide (CID 68670377) is 3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide is Cc1nnc(CNC(=O)c2cccc(C(N)=O)c2)o1.
What is the InChIKey of 3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is CCUVOIDBBQJSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-7-15-16-10(19-7)6-14-12(18)9-4-2-3-8(5-9)11(13)17/h2-5H,6H2,1H3,(H2,13,17)(H,14,18).
What are the key properties of 3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide?
3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 260.25 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 68670377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).