N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]tetrazol-5-yl]-1,3-benzodioxole-5-carboxamide

C15H14N6O4 — CID 58409633

IUPACN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]tetrazol-5-yl]-1,3-benzodioxole-5-carboxamide
SMILESCc1noc(C)c1Cn1nnc(NC(=O)c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C15H14N6O4/c1-8-11(9(2)25-19-8)6-21-18-15(17-20-21)16-14(22)10-3-4-12-13(5-10)24-7-23-12/h3-5H,6-7H2,1-2H3,(H,16,18,22)
InChIKeyUYGYTMZFCUBRAI-UHFFFAOYSA-N
MW342.32 g/mol
LogP1.31
Rot. Bonds4

About N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]tetrazol-5-yl]-1,3-benzodioxole-5-carboxamide

N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]tetrazol-5-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 58409633) has the molecular formula C15H14N6O4 and a molecular weight of 342.32 g/mol. Its IUPAC name is N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]tetrazol-5-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]tetrazol-5-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID58409633
Molecular FormulaC15H14N6O4
Molecular Weight342.32 g/mol
Exact Mass342.11
IUPAC NameN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]tetrazol-5-yl]-1,3-benzodioxole-5-carboxamide
SMILESCc1noc(C)c1Cn1nnc(NC(=O)c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C15H14N6O4/c1-8-11(9(2)25-19-8)6-21-18-15(17-20-21)16-14(22)10-3-4-12-13(5-10)24-7-23-12/h3-5H,6-7H2,1-2H3,(H,16,18,22)
InChIKeyUYGYTMZFCUBRAI-UHFFFAOYSA-N
XLogP1.31
TPSA117.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]tetrazol-5-yl]-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

N-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 959481
N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 8624242
N-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 30838985
N'-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9401355
N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 897407
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110643698
N-(2-ethyltetrazol-5-yl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 156584049
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 17088646
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 847128
1,3-benzodioxol-5-yl-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]methanone
CID 36869290
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 41237739
N-(4-amino-2,6-dimethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 50880688

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]tetrazol-5-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]tetrazol-5-yl]-1,3-benzodioxole-5-carboxamide (CID 58409633) is N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]tetrazol-5-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]tetrazol-5-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]tetrazol-5-yl]-1,3-benzodioxole-5-carboxamide is Cc1noc(C)c1Cn1nnc(NC(=O)c2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]tetrazol-5-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is UYGYTMZFCUBRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O4/c1-8-11(9(2)25-19-8)6-21-18-15(17-20-21)16-14(22)10-3-4-12-13(5-10)24-7-23-12/h3-5H,6-7H2,1-2H3,(H,16,18,22).
What are the key properties of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]tetrazol-5-yl]-1,3-benzodioxole-5-carboxamide?
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]tetrazol-5-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]tetrazol-5-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 58409633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).