(5R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H19FN4O2 — CID 94658417

IUPAC(5R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(C)c1ccc(CNC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cn1
InChIInChI=1S/C18H19FN4O2/c1-23(2)17-7-6-12(10-20-17)11-21-18(24)16-9-15(22-25-16)13-4-3-5-14(19)8-13/h3-8,10,16H,9,11H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyGHUYKNSXQBCJBX-MRXNPFEDSA-N
MW342.37 g/mol
LogP2.10
Rot. Bonds5

About (5R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 94658417) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is (5R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID94658417
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name(5R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(C)c1ccc(CNC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cn1
InChIInChI=1S/C18H19FN4O2/c1-23(2)17-7-6-12(10-20-17)11-21-18(24)16-9-15(22-25-16)13-4-3-5-14(19)8-13/h3-8,10,16H,9,11H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyGHUYKNSXQBCJBX-MRXNPFEDSA-N
XLogP2.10
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071810
3-(3-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55644791
3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2974001
(5S)-N-(2-tert-butylpyrimidin-5-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95234586
3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47028518
N-cyclohexyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427951
N-(3-acetamidophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068886
(5R)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 94630248
(5S)-N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51881320
(5R)-3-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 129360275
3-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51089120
N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3237190

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 94658417) is (5R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CN(C)c1ccc(CNC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cn1.
What is the InChIKey of (5R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is GHUYKNSXQBCJBX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-23(2)17-7-6-12(10-20-17)11-21-18(24)16-9-15(22-25-16)13-4-3-5-14(19)8-13/h3-8,10,16H,9,11H2,1-2H3,(H,21,24)/t16-/m1/s1.
What are the key properties of (5R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 94658417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).