N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide

C12H10N2O4 — CID 4078365

IUPACN-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)OCO3)no1
InChIInChI=1S/C12H10N2O4/c1-7-4-9(14-18-7)12(15)13-8-2-3-10-11(5-8)17-6-16-10/h2-5H,6H2,1H3,(H,13,15)
InChIKeyUPDNUZSLPBHEPI-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.96
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide

N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 4078365) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID4078365
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)OCO3)no1
InChIInChI=1S/C12H10N2O4/c1-7-4-9(14-18-7)12(15)13-8-2-3-10-11(5-8)17-6-16-10/h2-5H,6H2,1H3,(H,13,15)
InChIKeyUPDNUZSLPBHEPI-UHFFFAOYSA-N
XLogP1.96
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050216
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
1-(1,3-benzodioxol-5-yl)-3-(5-methyl-1,2-oxazol-3-yl)thiourea
CID 17265962
5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35528644
N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3604841
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113181908
N-(1,3-benzodioxol-5-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110863263
N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide
CID 112759099
N-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66156908
3-(1,3-benzodioxol-5-ylcarbamoyl)-1-methylpyrazole-5-carboxylic acid
CID 4155928
N-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109198757

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide (CID 4078365) is N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)no1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is UPDNUZSLPBHEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-7-4-9(14-18-7)12(15)13-8-2-3-10-11(5-8)17-6-16-10/h2-5H,6H2,1H3,(H,13,15).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 246.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 4078365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).