5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide

C15H16N2O4 — CID 41098515

IUPAC5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C15H16N2O4/c1-3-9(2)16-15(18)11-7-13(21-17-11)10-4-5-12-14(6-10)20-8-19-12/h4-7,9H,3,8H2,1-2H3,(H,16,18)/t9-/m1/s1
InChIKeyHOXPSVKWIOYNPW-SECBINFHSA-N
MW288.30 g/mol
LogP2.60
Rot. Bonds4

About 5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide

5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 41098515) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID41098515
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C15H16N2O4/c1-3-9(2)16-15(18)11-7-13(21-17-11)10-4-5-12-14(6-10)20-8-19-12/h4-7,9H,3,8H2,1-2H3,(H,16,18)/t9-/m1/s1
InChIKeyHOXPSVKWIOYNPW-SECBINFHSA-N
XLogP2.60
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-butan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 41098446
5-(1,3-benzodioxol-5-yl)-N-butyl-1,2-oxazole-3-carboxamide
CID 15994188
5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide
CID 46087349
5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide
CID 15988831
3-(1,3-benzodioxol-5-yl)-N-butan-2-yl-1H-pyrazole-5-carboxamide
CID 19513302
5-(1,3-benzodioxol-5-yl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 139676224
5-(1,3-benzodioxol-5-yl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 46087404
5-(1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 15993268
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093805
5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 15988828
5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
CID 133149974
N-pentan-2-yl-5-phenyl-1,2-oxazole-3-carboxamide
CID 133149969

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide (CID 41098515) is 5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide is CC[C@@H](C)NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is HOXPSVKWIOYNPW-SECBINFHSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-3-9(2)16-15(18)11-7-13(21-17-11)10-4-5-12-14(6-10)20-8-19-12/h4-7,9H,3,8H2,1-2H3,(H,16,18)/t9-/m1/s1.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 41098515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).