N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C15H15FN2O4 — CID 2811101

IUPACN-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1cc(F)cc2c1OCOC2
InChIInChI=1S/C15H15FN2O4/c1-8-13(9(2)22-18-8)15(19)17-5-10-3-12(16)4-11-6-20-7-21-14(10)11/h3-4H,5-7H2,1-2H3,(H,17,19)
InChIKeyQHGQDSSRZNWHAS-UHFFFAOYSA-N
MW306.29 g/mol
LogP2.23
Rot. Bonds3

About N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 2811101) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID2811101
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC NameN-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1cc(F)cc2c1OCOC2
InChIInChI=1S/C15H15FN2O4/c1-8-13(9(2)22-18-8)15(19)17-5-10-3-12(16)4-11-6-20-7-21-14(10)11/h3-4H,5-7H2,1-2H3,(H,17,19)
InChIKeyQHGQDSSRZNWHAS-UHFFFAOYSA-N
XLogP2.23
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 2811101) is N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCc1cc(F)cc2c1OCOC2.
What is the InChIKey of N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is QHGQDSSRZNWHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4/c1-8-13(9(2)22-18-8)15(19)17-5-10-3-12(16)4-11-6-20-7-21-14(10)11/h3-4H,5-7H2,1-2H3,(H,17,19).
What are the key properties of N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 306.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2811101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).