4-(fluoromethyl)-5-[methoxy(naphthalen-2-yl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide

C22H23FN2O4 — CID 118536797

IUPAC4-(fluoromethyl)-5-[methoxy(naphthalen-2-yl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOC(c1ccc2ccccc2c1)c1onc(C(=O)NCC2CCOC2)c1CF
InChIInChI=1S/C22H23FN2O4/c1-27-20(17-7-6-15-4-2-3-5-16(15)10-17)21-18(11-23)19(25-29-21)22(26)24-12-14-8-9-28-13-14/h2-7,10,14,20H,8-9,11-13H2,1H3,(H,24,26)
InChIKeyQLDDPBVQVLPWEJ-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.80
Rot. Bonds7

About 4-(fluoromethyl)-5-[methoxy(naphthalen-2-yl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide

4-(fluoromethyl)-5-[methoxy(naphthalen-2-yl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 118536797) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is 4-(fluoromethyl)-5-[methoxy(naphthalen-2-yl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-(fluoromethyl)-5-[methoxy(naphthalen-2-yl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID118536797
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name4-(fluoromethyl)-5-[methoxy(naphthalen-2-yl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOC(c1ccc2ccccc2c1)c1onc(C(=O)NCC2CCOC2)c1CF
InChIInChI=1S/C22H23FN2O4/c1-27-20(17-7-6-15-4-2-3-5-16(15)10-17)21-18(11-23)19(25-29-21)22(26)24-12-14-8-9-28-13-14/h2-7,10,14,20H,8-9,11-13H2,1H3,(H,24,26)
InChIKeyQLDDPBVQVLPWEJ-UHFFFAOYSA-N
XLogP3.80
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-5-[methoxy(naphthalen-2-yl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-(fluoromethyl)-5-[methoxy(naphthalen-2-yl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 118536797) is 4-(fluoromethyl)-5-[methoxy(naphthalen-2-yl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-(fluoromethyl)-5-[methoxy(naphthalen-2-yl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-(fluoromethyl)-5-[methoxy(naphthalen-2-yl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is COC(c1ccc2ccccc2c1)c1onc(C(=O)NCC2CCOC2)c1CF.
What is the InChIKey of 4-(fluoromethyl)-5-[methoxy(naphthalen-2-yl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QLDDPBVQVLPWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c1-27-20(17-7-6-15-4-2-3-5-16(15)10-17)21-18(11-23)19(25-29-21)22(26)24-12-14-8-9-28-13-14/h2-7,10,14,20H,8-9,11-13H2,1H3,(H,24,26).
What are the key properties of 4-(fluoromethyl)-5-[methoxy(naphthalen-2-yl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
4-(fluoromethyl)-5-[methoxy(naphthalen-2-yl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-5-[methoxy(naphthalen-2-yl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118536797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).