N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide

C16H18N2O4 — CID 110684651

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C(C)C)c(C(=O)NCc2ccc3c(c2)OCO3)o1
InChIInChI=1S/C16H18N2O4/c1-9(2)14-15(22-10(3)18-14)16(19)17-7-11-4-5-12-13(6-11)21-8-20-12/h4-6,9H,7-8H2,1-3H3,(H,17,19)
InChIKeyGTJQXOIOBOHRIW-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.77
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide (PubChem CID 110684651) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
PubChem CID110684651
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C(C)C)c(C(=O)NCc2ccc3c(c2)OCO3)o1
InChIInChI=1S/C16H18N2O4/c1-9(2)14-15(22-10(3)18-14)16(19)17-7-11-4-5-12-13(6-11)21-8-20-12/h4-6,9H,7-8H2,1-3H3,(H,17,19)
InChIKeyGTJQXOIOBOHRIW-UHFFFAOYSA-N
XLogP2.77
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide
CID 110697623
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691869
N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 122175390
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 110851669
1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051273
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-(methylamino)propanamide
CID 79202322
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 975628
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-chloropropanamide
CID 2435381
(2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 78973204
N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109327998
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715476

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide (CID 110684651) is N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide is Cc1nc(C(C)C)c(C(=O)NCc2ccc3c(c2)OCO3)o1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The InChIKey is GTJQXOIOBOHRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-9(2)14-15(22-10(3)18-14)16(19)17-7-11-4-5-12-13(6-11)21-8-20-12/h4-6,9H,7-8H2,1-3H3,(H,17,19).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.77, 4 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-ylmethyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110684651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).