(5R)-N,N-diethyl-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide

C15H19FN2O2 — CID 97465707

IUPAC(5R)-N,N-diethyl-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCCN(CC)C(=O)[C@@]1(C)CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C15H19FN2O2/c1-4-18(5-2)14(19)15(3)10-13(17-20-15)11-7-6-8-12(16)9-11/h6-9H,4-5,10H2,1-3H3/t15-/m1/s1
InChIKeyIREQXDAMYHIUIM-OAHLLOKOSA-N
MW278.33 g/mol
LogP2.58
Rot. Bonds4

About (5R)-N,N-diethyl-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide

(5R)-N,N-diethyl-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 97465707) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is (5R)-N,N-diethyl-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N,N-diethyl-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID97465707
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name(5R)-N,N-diethyl-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCCN(CC)C(=O)[C@@]1(C)CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C15H19FN2O2/c1-4-18(5-2)14(19)15(3)10-13(17-20-15)11-7-6-8-12(16)9-11/h6-9H,4-5,10H2,1-3H3/t15-/m1/s1
InChIKeyIREQXDAMYHIUIM-OAHLLOKOSA-N
XLogP2.58
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-N,N-diethyl-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815883
[(5S)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 97465759
(5R)-N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465709
(5S)-3-(2-chlorophenyl)-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465601
(5S)-3-(3-fluorophenyl)-5-methyl-N-[(5-methylfuran-2-yl)methyl]-4H-1,2-oxazole-5-carboxamide
CID 97465772
N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-N-(piperidine-3-carbonyl)-4H-1,2-oxazole-5-carboxamide
CID 91953770
(5S)-3-(3-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 97465718
(5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465686
(5R)-3-(3-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-4H-1,2-oxazole-5-carboxamide
CID 97465778
(5R)-3-(3-fluorophenyl)-5-methyl-N-(5-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 97465721
(5S)-3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4H-1,2-oxazole-5-carboxamide
CID 97465699
3-(3-fluorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide
CID 91946116

Frequently Asked Questions

What is the IUPAC name of (5R)-N,N-diethyl-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-N,N-diethyl-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 97465707) is (5R)-N,N-diethyl-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-N,N-diethyl-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-N,N-diethyl-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is CCN(CC)C(=O)[C@@]1(C)CC(c2cccc(F)c2)=NO1.
What is the InChIKey of (5R)-N,N-diethyl-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is IREQXDAMYHIUIM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-4-18(5-2)14(19)15(3)10-13(17-20-15)11-7-6-8-12(16)9-11/h6-9H,4-5,10H2,1-3H3/t15-/m1/s1.
What are the key properties of (5R)-N,N-diethyl-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
(5R)-N,N-diethyl-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N,N-diethyl-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97465707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).