N-ethyl-2-fluoro-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide

C19H18F2N2O2 — CID 46137884

IUPACN-ethyl-2-fluoro-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
SMILESCCN(CC1CC(c2cccc(F)c2)=NO1)C(=O)c1ccccc1F
InChIInChI=1S/C19H18F2N2O2/c1-2-23(19(24)16-8-3-4-9-17(16)21)12-15-11-18(22-25-15)13-6-5-7-14(20)10-13/h3-10,15H,2,11-12H2,1H3
InChIKeyCHYNQINJDOKVKO-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.62
Rot. Bonds5

About N-ethyl-2-fluoro-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide

N-ethyl-2-fluoro-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide (PubChem CID 46137884) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
PubChem CID46137884
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC NameN-ethyl-2-fluoro-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
SMILESCCN(CC1CC(c2cccc(F)c2)=NO1)C(=O)c1ccccc1F
InChIInChI=1S/C19H18F2N2O2/c1-2-23(19(24)16-8-3-4-9-17(16)21)12-15-11-18(22-25-15)13-6-5-7-14(20)10-13/h3-10,15H,2,11-12H2,1H3
InChIKeyCHYNQINJDOKVKO-UHFFFAOYSA-N
XLogP3.62
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-{[3-(4-Fluorophenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}-2-methylpiperidine
CID 3238468
(4-Benzylpiperazin-1-yl)[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 5309483
1-{[3-(4-Fluorophenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}-2,6-dimethylpiperidine
CID 3236925
[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl](4-methylpiperidin-1-yl)methanone
CID 3235728
3,4-dihydro-1H-isoquinolin-2-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 5309929
Phenyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone
CID 134788212
3-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681854
3-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681855
3-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681931
(4-Tert-butylphenyl)-[3-(2-fluorophenyl)-7-propan-2-yl-1-oxa-2,7,8-triazaspiro[4.4]non-2-en-8-yl]methanone
CID 46904984
(4-Methylphenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134791614
[4-(Trifluoromethyl)phenyl]-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134793533

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
The IUPAC name of N-ethyl-2-fluoro-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide (CID 46137884) is N-ethyl-2-fluoro-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
The canonical SMILES for N-ethyl-2-fluoro-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide is CCN(CC1CC(c2cccc(F)c2)=NO1)C(=O)c1ccccc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
The InChIKey is CHYNQINJDOKVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-2-23(19(24)16-8-3-4-9-17(16)21)12-15-11-18(22-25-15)13-6-5-7-14(20)10-13/h3-10,15H,2,11-12H2,1H3.
What are the key properties of N-ethyl-2-fluoro-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
N-ethyl-2-fluoro-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide has a molecular weight of 344.36 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide is sourced from PubChem (CID 46137884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).