4-(fluoromethyl)-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide

C22H23FN2O4 — CID 118536799

IUPAC4-(fluoromethyl)-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1noc(COCc2ccc3ccccc3c2)c1CF
InChIInChI=1S/C22H23FN2O4/c23-10-19-20(29-25-21(19)22(26)24-11-16-7-8-27-13-16)14-28-12-15-5-6-17-3-1-2-4-18(17)9-15/h1-6,9,16H,7-8,10-14H2,(H,24,26)
InChIKeyDVTDFGKJPDPXKH-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.78
Rot. Bonds8

About 4-(fluoromethyl)-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide

4-(fluoromethyl)-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 118536799) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is 4-(fluoromethyl)-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-(fluoromethyl)-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID118536799
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name4-(fluoromethyl)-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1noc(COCc2ccc3ccccc3c2)c1CF
InChIInChI=1S/C22H23FN2O4/c23-10-19-20(29-25-21(19)22(26)24-11-16-7-8-27-13-16)14-28-12-15-5-6-17-3-1-2-4-18(17)9-15/h1-6,9,16H,7-8,10-14H2,(H,24,26)
InChIKeyDVTDFGKJPDPXKH-UHFFFAOYSA-N
XLogP3.78
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-(fluoromethyl)-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 118536799) is 4-(fluoromethyl)-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-(fluoromethyl)-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-(fluoromethyl)-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CCOC1)c1noc(COCc2ccc3ccccc3c2)c1CF.
What is the InChIKey of 4-(fluoromethyl)-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is DVTDFGKJPDPXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c23-10-19-20(29-25-21(19)22(26)24-11-16-7-8-27-13-16)14-28-12-15-5-6-17-3-1-2-4-18(17)9-15/h1-6,9,16H,7-8,10-14H2,(H,24,26).
What are the key properties of 4-(fluoromethyl)-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
4-(fluoromethyl)-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118536799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).