3-(2-fluorophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C14H17FN2O2 — CID 20869153

IUPAC3-(2-fluorophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)CNC(=O)C1CC(c2ccccc2F)=NO1
InChIInChI=1S/C14H17FN2O2/c1-9(2)8-16-14(18)13-7-12(17-19-13)10-5-3-4-6-11(10)15/h3-6,9,13H,7-8H2,1-2H3,(H,16,18)
InChIKeyMIODZTKCQXLCIK-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.09
Rot. Bonds4

About 3-(2-fluorophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2-fluorophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 20869153) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID20869153
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name3-(2-fluorophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)CNC(=O)C1CC(c2ccccc2F)=NO1
InChIInChI=1S/C14H17FN2O2/c1-9(2)8-16-14(18)13-7-12(17-19-13)10-5-3-4-6-11(10)15/h3-6,9,13H,7-8H2,1-2H3,(H,16,18)
InChIKeyMIODZTKCQXLCIK-UHFFFAOYSA-N
XLogP2.09
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-N-ethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 93143687
3-(2-fluorophenyl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 20869151
(5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638470
N-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095813
(5R)-N-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638542
(5R)-3-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638550
(5R)-3-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 92666644
(5R)-3-(2-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638520
(5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 6966214
(5S)-N-cyclohexyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638531
3-(4-acetamidophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 11673880
(5S)-3-(2-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638495

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 20869153) is 3-(2-fluorophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(C)CNC(=O)C1CC(c2ccccc2F)=NO1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is MIODZTKCQXLCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-9(2)8-16-14(18)13-7-12(17-19-13)10-5-3-4-6-11(10)15/h3-6,9,13H,7-8H2,1-2H3,(H,16,18).
What are the key properties of 3-(2-fluorophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-fluorophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 20869153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).