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

C13H13N3O3 — CID 140556514

IUPAC3-N-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide
SMILESCc1coc(CNC(=O)c2cccc(C(N)=O)c2)n1
InChIInChI=1S/C13H13N3O3/c1-8-7-19-11(16-8)6-15-13(18)10-4-2-3-9(5-10)12(14)17/h2-5,7H,6H2,1H3,(H2,14,17)(H,15,18)
InChIKeyFMKXUAVIUIVMOR-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.01
Rot. Bonds4

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

3-N-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide (PubChem CID 140556514) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-N-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide
PubChem CID140556514
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name3-N-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide
SMILESCc1coc(CNC(=O)c2cccc(C(N)=O)c2)n1
InChIInChI=1S/C13H13N3O3/c1-8-7-19-11(16-8)6-15-13(18)10-4-2-3-9(5-10)12(14)17/h2-5,7H,6H2,1H3,(H2,14,17)(H,15,18)
InChIKeyFMKXUAVIUIVMOR-UHFFFAOYSA-N
XLogP1.01
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670377
3-carbamothioyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106372305
3-(N'-hydroxycarbamimidoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 76927062
3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide
CID 81482947
3-N-[[2-(aminomethyl)phenyl]methyl]benzene-1,3-dicarboxamide
CID 62949892
methyl 3-[(3-carbamoylbenzoyl)amino]propanoate
CID 47159745
3-N-(3-aminobutyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119498174
4-[(3-carbamoylbenzoyl)amino]-2-methylbutanoic acid
CID 80540452
3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 47344966
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide
CID 106377771
3-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61400580
3-N-[2-(2-hydroxypropylamino)ethyl]benzene-1,3-dicarboxamide
CID 104593481

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide (CID 140556514) is 3-N-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide is Cc1coc(CNC(=O)c2cccc(C(N)=O)c2)n1.
What is the InChIKey of 3-N-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is FMKXUAVIUIVMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8-7-19-11(16-8)6-15-13(18)10-4-2-3-9(5-10)12(14)17/h2-5,7H,6H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of 3-N-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide?
3-N-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 259.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 140556514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).