N-(3-tert-butyl-1,2-oxazol-5-yl)-7-chloro-1,3-benzodioxole-5-carboxamide

C15H15ClN2O4 — CID 9467437

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-7-chloro-1,3-benzodioxole-5-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cc(Cl)c3c(c2)OCO3)on1
InChIInChI=1S/C15H15ClN2O4/c1-15(2,3)11-6-12(22-18-11)17-14(19)8-4-9(16)13-10(5-8)20-7-21-13/h4-6H,7H2,1-3H3,(H,17,19)
InChIKeyYNVMRDLOAYIXHX-UHFFFAOYSA-N
MW322.75 g/mol
LogP3.61
Rot. Bonds2

About N-(3-tert-butyl-1,2-oxazol-5-yl)-7-chloro-1,3-benzodioxole-5-carboxamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-7-chloro-1,3-benzodioxole-5-carboxamide (PubChem CID 9467437) has the molecular formula C15H15ClN2O4 and a molecular weight of 322.75 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-7-chloro-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-7-chloro-1,3-benzodioxole-5-carboxamide
PubChem CID9467437
Molecular FormulaC15H15ClN2O4
Molecular Weight322.75 g/mol
Exact Mass322.07
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-7-chloro-1,3-benzodioxole-5-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cc(Cl)c3c(c2)OCO3)on1
InChIInChI=1S/C15H15ClN2O4/c1-15(2,3)11-6-12(22-18-11)17-14(19)8-4-9(16)13-10(5-8)20-7-21-13/h4-6H,7H2,1-3H3,(H,17,19)
InChIKeyYNVMRDLOAYIXHX-UHFFFAOYSA-N
XLogP3.61
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-N-(3-hydroxy-2-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 115884380
7-chloro-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 39754944
3-bromo-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-chlorobenzamide
CID 103844025
7-chloro-N-(1H-pyrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 61393952
7-chloro-N-(4-hydroxy-2-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 115870009
7-chloro-N-(2-fluoro-4-methylphenyl)-1,3-benzodioxole-5-carboxamide
CID 26700464
7-chloro-N-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
CID 83032162
7-chloro-N-(2,3-dihydroxy-2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 66170274
7-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-1,3-benzodioxole-5-carboxamide
CID 103772456
7-chloro-N-[2-(difluoromethylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 55368530
7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide
CID 51465630
7-chloro-N-(5-chloro-2-hydroxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 56581240

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-7-chloro-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-7-chloro-1,3-benzodioxole-5-carboxamide (CID 9467437) is N-(3-tert-butyl-1,2-oxazol-5-yl)-7-chloro-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-7-chloro-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-7-chloro-1,3-benzodioxole-5-carboxamide is CC(C)(C)c1cc(NC(=O)c2cc(Cl)c3c(c2)OCO3)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-7-chloro-1,3-benzodioxole-5-carboxamide?
The InChIKey is YNVMRDLOAYIXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4/c1-15(2,3)11-6-12(22-18-11)17-14(19)8-4-9(16)13-10(5-8)20-7-21-13/h4-6H,7H2,1-3H3,(H,17,19).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-7-chloro-1,3-benzodioxole-5-carboxamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-7-chloro-1,3-benzodioxole-5-carboxamide has a molecular weight of 322.75 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-7-chloro-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 9467437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).