3-(4-fluorophenyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H17FN4O2 — CID 19493475

IUPAC3-(4-fluorophenyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(Cc1ccnn1C)C(=O)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C16H17FN4O2/c1-20(10-13-7-8-18-21(13)2)16(22)15-9-14(19-23-15)11-3-5-12(17)6-4-11/h3-8,15H,9-10H2,1-2H3
InChIKeyFJKGNHPIPYGMAU-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.71
Rot. Bonds4

About 3-(4-fluorophenyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(4-fluorophenyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19493475) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19493475
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name3-(4-fluorophenyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(Cc1ccnn1C)C(=O)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C16H17FN4O2/c1-20(10-13-7-8-18-21(13)2)16(22)15-9-14(19-23-15)11-3-5-12(17)6-4-11/h3-8,15H,9-10H2,1-2H3
InChIKeyFJKGNHPIPYGMAU-UHFFFAOYSA-N
XLogP1.71
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromophenyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495672
N-benzyl-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6619660
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491767
2-[methyl-[(2-methylpyrazol-3-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 19616909
(5R)-N-tert-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503766
3-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51089120
3-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493513
(5S)-3-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 94658216
3-(2-chloro-6-fluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19489486
(5R)-N-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503762
(5R)-N-cyclopropyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29089743
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42816610

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19493475) is 3-(4-fluorophenyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CN(Cc1ccnn1C)C(=O)C1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 3-(4-fluorophenyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is FJKGNHPIPYGMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-20(10-13-7-8-18-21(13)2)16(22)15-9-14(19-23-15)11-3-5-12(17)6-4-11/h3-8,15H,9-10H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19493475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).