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

C20H17FN4O3 — CID 51498730

IUPAC(5R)-3-(2-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(c2ccccc2F)=NO1
InChIInChI=1S/C20H17FN4O3/c1-20(11-16(24-28-20)14-9-5-6-10-15(14)21)19(26)22-12-17-23-18(27-25-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,22,26)/t20-/m1/s1
InChIKeyVSJWIFNXCOGSAO-HXUWFJFHSA-N
MW380.38 g/mol
LogP3.08
Rot. Bonds5

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

(5R)-3-(2-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide (PubChem CID 51498730) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is (5R)-3-(2-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-(2-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide
PubChem CID51498730
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name(5R)-3-(2-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(c2ccccc2F)=NO1
InChIInChI=1S/C20H17FN4O3/c1-20(11-16(24-28-20)14-9-5-6-10-15(14)21)19(26)22-12-17-23-18(27-25-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,22,26)/t20-/m1/s1
InChIKeyVSJWIFNXCOGSAO-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-(4-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide
CID 51498726
3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91945847
(5S)-N-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051970
(5S)-3-(2-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 51497722
3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 53098234
(5S)-5-methyl-3-phenyl-N-(2-phenylethyl)-4H-1,2-oxazole-5-carboxamide
CID 97465490
(5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815919
(4-ethylpiperazin-1-yl)-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 97465423
(5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 97465304
(5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465267
(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

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2-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-(2-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide (CID 51498730) is (5R)-3-(2-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-(2-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-(2-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(c2ccccc2F)=NO1.
What is the InChIKey of (5R)-3-(2-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide?
The InChIKey is VSJWIFNXCOGSAO-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-20(11-16(24-28-20)14-9-5-6-10-15(14)21)19(26)22-12-17-23-18(27-25-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,22,26)/t20-/m1/s1.
What are the key properties of (5R)-3-(2-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide?
(5R)-3-(2-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-(2-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51498730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).