(5R)-N-[2-(4-fluorophenoxy)ethyl]-3-(2-fluorophenyl)-N,5-dimethyl-4H-1,2-oxazole-5-carboxamide

C20H20F2N2O3 — CID 129385931

IUPAC(5R)-N-[2-(4-fluorophenoxy)ethyl]-3-(2-fluorophenyl)-N,5-dimethyl-4H-1,2-oxazole-5-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)[C@@]1(C)CC(c2ccccc2F)=NO1
InChIInChI=1S/C20H20F2N2O3/c1-20(13-18(23-27-20)16-5-3-4-6-17(16)22)19(25)24(2)11-12-26-15-9-7-14(21)8-10-15/h3-10H,11-13H2,1-2H3/t20-/m1/s1
InChIKeyHPJPPAQXBPFBAH-HXUWFJFHSA-N
MW374.39 g/mol
LogP3.39
Rot. Bonds6

About (5R)-N-[2-(4-fluorophenoxy)ethyl]-3-(2-fluorophenyl)-N,5-dimethyl-4H-1,2-oxazole-5-carboxamide

(5R)-N-[2-(4-fluorophenoxy)ethyl]-3-(2-fluorophenyl)-N,5-dimethyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 129385931) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is (5R)-N-[2-(4-fluorophenoxy)ethyl]-3-(2-fluorophenyl)-N,5-dimethyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-[2-(4-fluorophenoxy)ethyl]-3-(2-fluorophenyl)-N,5-dimethyl-4H-1,2-oxazole-5-carboxamide
PubChem CID129385931
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name(5R)-N-[2-(4-fluorophenoxy)ethyl]-3-(2-fluorophenyl)-N,5-dimethyl-4H-1,2-oxazole-5-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)[C@@]1(C)CC(c2ccccc2F)=NO1
InChIInChI=1S/C20H20F2N2O3/c1-20(13-18(23-27-20)16-5-3-4-6-17(16)22)19(25)24(2)11-12-26-15-9-7-14(21)8-10-15/h3-10H,11-13H2,1-2H3/t20-/m1/s1
InChIKeyHPJPPAQXBPFBAH-HXUWFJFHSA-N
XLogP3.39
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-N-[2-(4-fluorophenoxy)ethyl]-3-(2-fluorophenyl)-N,5-dimethyl-4H-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-5-(2-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 55637945
1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464033
4-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyloxolane-3-carboxamide
CID 66248870
4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide
CID 120920103
3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91945847
(5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465411
phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate
CID 60676113
(4-ethylpiperazin-1-yl)-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 97465423
1-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60938352
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyloxane-2-carboxamide
CID 136560972
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 97465298
6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 115497073

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[2-(4-fluorophenoxy)ethyl]-3-(2-fluorophenyl)-N,5-dimethyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-N-[2-(4-fluorophenoxy)ethyl]-3-(2-fluorophenyl)-N,5-dimethyl-4H-1,2-oxazole-5-carboxamide (CID 129385931) is (5R)-N-[2-(4-fluorophenoxy)ethyl]-3-(2-fluorophenyl)-N,5-dimethyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-N-[2-(4-fluorophenoxy)ethyl]-3-(2-fluorophenyl)-N,5-dimethyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-N-[2-(4-fluorophenoxy)ethyl]-3-(2-fluorophenyl)-N,5-dimethyl-4H-1,2-oxazole-5-carboxamide is CN(CCOc1ccc(F)cc1)C(=O)[C@@]1(C)CC(c2ccccc2F)=NO1.
What is the InChIKey of (5R)-N-[2-(4-fluorophenoxy)ethyl]-3-(2-fluorophenyl)-N,5-dimethyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is HPJPPAQXBPFBAH-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c1-20(13-18(23-27-20)16-5-3-4-6-17(16)22)19(25)24(2)11-12-26-15-9-7-14(21)8-10-15/h3-10H,11-13H2,1-2H3/t20-/m1/s1.
What are the key properties of (5R)-N-[2-(4-fluorophenoxy)ethyl]-3-(2-fluorophenyl)-N,5-dimethyl-4H-1,2-oxazole-5-carboxamide?
(5R)-N-[2-(4-fluorophenoxy)ethyl]-3-(2-fluorophenyl)-N,5-dimethyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 374.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[2-(4-fluorophenoxy)ethyl]-3-(2-fluorophenyl)-N,5-dimethyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 129385931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).