(5R)-3-(4-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide

C20H17FN4O3 — CID 51498726

IUPAC(5R)-3-(4-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide
SMILESC[C@]1(C(=O)NCc2noc(-c3ccccc3)n2)CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C20H17FN4O3/c1-20(11-16(24-28-20)13-7-9-15(21)10-8-13)19(26)22-12-17-23-18(27-25-17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,22,26)/t20-/m1/s1
InChIKeyFFELKQYEFPBYPJ-HXUWFJFHSA-N
MW380.38 g/mol
LogP3.08
Rot. Bonds5

About (5R)-3-(4-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide

(5R)-3-(4-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide (PubChem CID 51498726) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is (5R)-3-(4-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(4-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide
PubChem CID51498726
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name(5R)-3-(4-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide
SMILESC[C@]1(C(=O)NCc2noc(-c3ccccc3)n2)CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C20H17FN4O3/c1-20(11-16(24-28-20)13-7-9-15(21)10-8-13)19(26)22-12-17-23-18(27-25-17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,22,26)/t20-/m1/s1
InChIKeyFFELKQYEFPBYPJ-HXUWFJFHSA-N
XLogP3.08
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-3-(2-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide
CID 51498730
(5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815919
(5R)-3-(4-fluorophenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide
CID 100815886
(5S)-3-(4-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide
CID 100815912
(5R)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815699
(5S)-5-methyl-3-phenyl-N-(2-phenylethyl)-4H-1,2-oxazole-5-carboxamide
CID 97465490
N-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide
CID 53098271
(5S)-3-(4-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815902
4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 3506531
(5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051944
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 91954151
(5S)-N-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051970

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(4-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide (CID 51498726) is (5R)-3-(4-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(4-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(4-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide is C[C@]1(C(=O)NCc2noc(-c3ccccc3)n2)CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of (5R)-3-(4-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide?
The InChIKey is FFELKQYEFPBYPJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-20(11-16(24-28-20)13-7-9-15(21)10-8-13)19(26)22-12-17-23-18(27-25-17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,22,26)/t20-/m1/s1.
What are the key properties of (5R)-3-(4-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide?
(5R)-3-(4-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51498726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).