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

C21H21FN2O4 — CID 118536720

IUPAC5-[(1-fluoronaphthalen-2-yl)-methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOC(c1cc(C(=O)NCC2CCOC2)no1)c1ccc2ccccc2c1F
InChIInChI=1S/C21H21FN2O4/c1-26-20(16-7-6-14-4-2-3-5-15(14)19(16)22)18-10-17(24-28-18)21(25)23-11-13-8-9-27-12-13/h2-7,10,13,20H,8-9,11-12H2,1H3,(H,23,25)
InChIKeyXDYVVNFMFUNLIQ-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.47
Rot. Bonds6

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 118536720) 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 CID118536720
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
SMILESCOC(c1cc(C(=O)NCC2CCOC2)no1)c1ccc2ccccc2c1F
InChIInChI=1S/C21H21FN2O4/c1-26-20(16-7-6-14-4-2-3-5-15(14)19(16)22)18-10-17(24-28-18)21(25)23-11-13-8-9-27-12-13/h2-7,10,13,20H,8-9,11-12H2,1H3,(H,23,25)
InChIKeyXDYVVNFMFUNLIQ-UHFFFAOYSA-N
XLogP3.47
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.47
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 118536720) 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 COC(c1cc(C(=O)NCC2CCOC2)no1)c1ccc2ccccc2c1F.
What is the InChIKey of 5-[(1-fluoronaphthalen-2-yl)-methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XDYVVNFMFUNLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c1-26-20(16-7-6-14-4-2-3-5-15(14)19(16)22)18-10-17(24-28-18)21(25)23-11-13-8-9-27-12-13/h2-7,10,13,20H,8-9,11-12H2,1H3,(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 3.47, 6 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 118536720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).