5-[(1-fluoronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide

C21H21FN2O4 — CID 90325751

IUPAC5-[(1-fluoronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(COCc2ccc3ccccc3c2F)on1
InChIInChI=1S/C21H21FN2O4/c22-20-16(6-5-15-3-1-2-4-18(15)20)12-27-13-17-9-19(24-28-17)21(25)23-10-14-7-8-26-11-14/h1-6,9,14H,7-8,10-13H2,(H,23,25)
InChIKeyBZJLONLCKXDSLA-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.45
Rot. Bonds7

About 5-[(1-fluoronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide

5-[(1-fluoronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 90325751) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is 5-[(1-fluoronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(1-fluoronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID90325751
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC Name5-[(1-fluoronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(COCc2ccc3ccccc3c2F)on1
InChIInChI=1S/C21H21FN2O4/c22-20-16(6-5-15-3-1-2-4-18(15)20)12-27-13-17-9-19(24-28-17)21(25)23-10-14-7-8-26-11-14/h1-6,9,14H,7-8,10-13H2,(H,23,25)
InChIKeyBZJLONLCKXDSLA-UHFFFAOYSA-N
XLogP3.45
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-fluoronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(1-fluoronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 90325751) is 5-[(1-fluoronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(1-fluoronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(1-fluoronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CCOC1)c1cc(COCc2ccc3ccccc3c2F)on1.
What is the InChIKey of 5-[(1-fluoronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is BZJLONLCKXDSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c22-20-16(6-5-15-3-1-2-4-18(15)20)12-27-13-17-9-19(24-28-17)21(25)23-10-14-7-8-26-11-14/h1-6,9,14H,7-8,10-13H2,(H,23,25).
What are the key properties of 5-[(1-fluoronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(1-fluoronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-fluoronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90325751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).