5-[(3-fluoro-4a,8a-dihydronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide

C21H23FN2O4 — CID 134390147

IUPAC5-[(3-fluoro-4a,8a-dihydronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(COCC2=CC3C=CC=CC3C=C2F)on1
InChIInChI=1S/C21H23FN2O4/c22-19-8-16-4-2-1-3-15(16)7-17(19)12-27-13-18-9-20(24-28-18)21(25)23-10-14-5-6-26-11-14/h1-4,7-9,14-16H,5-6,10-13H2,(H,23,25)
InChIKeyOPZJAPOIYJXRHW-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.11
Rot. Bonds7

About 5-[(3-fluoro-4a,8a-dihydronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide

5-[(3-fluoro-4a,8a-dihydronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 134390147) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is 5-[(3-fluoro-4a,8a-dihydronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-fluoro-4a,8a-dihydronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID134390147
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name5-[(3-fluoro-4a,8a-dihydronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(COCC2=CC3C=CC=CC3C=C2F)on1
InChIInChI=1S/C21H23FN2O4/c22-19-8-16-4-2-1-3-15(16)7-17(19)12-27-13-18-9-20(24-28-18)21(25)23-10-14-5-6-26-11-14/h1-4,7-9,14-16H,5-6,10-13H2,(H,23,25)
InChIKeyOPZJAPOIYJXRHW-UHFFFAOYSA-N
XLogP3.11
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methoxymethyl)-N-[2-(2-methylpropyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 75446716
5-(methoxymethyl)-N-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2,2,4,4-tetramethylcyclobutyl]-1,2-oxazole-3-carboxamide
CID 75534327
N-[(1S)-1-cyclopropylethyl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 137993470
5-(methoxymethyl)-N-[(3S)-1-propanoylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 164631414
N-[(3R)-4,4-dimethyloxolan-3-yl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 164641962
N-(oxan-4-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxamide
CID 76899929
N-(tetrahydrofuran-3-ylmethyl)-5-(2,5-difluorobenzyloxymethyl)isoxazole-3-carboxamide
CID 90325752
N-(tetrahydrofuran-3-ylmethyl)-5-(3,4,5-trifluorobenzyloxymethyl)isoxazole-3-carboxamide
CID 90325760
N-(oxolan-3-ylmethyl)-5-[(2,2,2-trifluoro-1-phenylethoxy)methyl]-1,2-oxazole-3-carboxamide
CID 90325836
N-(tetrahydrofuran-3-ylmethyl)-5-(3,4-difluorobenzyloxymethyl)isoxazole-3-carboxamide
CID 90325875
N-(oxolan-3-ylmethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90325944
5-[(4-fluorophenoxy)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325960

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-4a,8a-dihydronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3-fluoro-4a,8a-dihydronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 134390147) is 5-[(3-fluoro-4a,8a-dihydronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3-fluoro-4a,8a-dihydronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3-fluoro-4a,8a-dihydronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CCOC1)c1cc(COCC2=CC3C=CC=CC3C=C2F)on1.
What is the InChIKey of 5-[(3-fluoro-4a,8a-dihydronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is OPZJAPOIYJXRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4/c22-19-8-16-4-2-1-3-15(16)7-17(19)12-27-13-18-9-20(24-28-18)21(25)23-10-14-5-6-26-11-14/h1-4,7-9,14-16H,5-6,10-13H2,(H,23,25).
What are the key properties of 5-[(3-fluoro-4a,8a-dihydronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(3-fluoro-4a,8a-dihydronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-4a,8a-dihydronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 134390147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).