5-[(4-fluorophenoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide

C16H17FN2O4 — CID 90325960

IUPAC5-[(4-fluorophenoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(COc2ccc(F)cc2)on1
InChIInChI=1S/C16H17FN2O4/c17-12-1-3-13(4-2-12)22-10-14-7-15(19-23-14)16(20)18-8-11-5-6-21-9-11/h1-4,7,11H,5-6,8-10H2,(H,18,20)
InChIKeyRQCYRZZYKRLEQQ-UHFFFAOYSA-N
MW320.32 g/mol
LogP2.16
Rot. Bonds6

About 5-[(4-fluorophenoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide

5-[(4-fluorophenoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 90325960) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID90325960
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name5-[(4-fluorophenoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(COc2ccc(F)cc2)on1
InChIInChI=1S/C16H17FN2O4/c17-12-1-3-13(4-2-12)22-10-14-7-15(19-23-14)16(20)18-8-11-5-6-21-9-11/h1-4,7,11H,5-6,8-10H2,(H,18,20)
InChIKeyRQCYRZZYKRLEQQ-UHFFFAOYSA-N
XLogP2.16
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 90325960) is 5-[(4-fluorophenoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CCOC1)c1cc(COc2ccc(F)cc2)on1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RQCYRZZYKRLEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c17-12-1-3-13(4-2-12)22-10-14-7-15(19-23-14)16(20)18-8-11-5-6-21-9-11/h1-4,7,11H,5-6,8-10H2,(H,18,20).
What are the key properties of 5-[(4-fluorophenoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(4-fluorophenoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 320.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90325960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).