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

C17H19FN4O2 — CID 97465778

IUPAC(5R)-3-(3-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-4H-1,2-oxazole-5-carboxamide
SMILESC[C@]1(C(=O)NCCCn2cccn2)CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C17H19FN4O2/c1-17(16(23)19-7-3-9-22-10-4-8-20-22)12-15(21-24-17)13-5-2-6-14(18)11-13/h2,4-6,8,10-11H,3,7,9,12H2,1H3,(H,19,23)/t17-/m1/s1
InChIKeyZNEBYJMLNRVUQN-QGZVFWFLSA-N
MW330.36 g/mol
LogP2.11
Rot. Bonds6

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

(5R)-3-(3-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-4H-1,2-oxazole-5-carboxamide (PubChem CID 97465778) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is (5R)-3-(3-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(3-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-4H-1,2-oxazole-5-carboxamide
PubChem CID97465778
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name(5R)-3-(3-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-4H-1,2-oxazole-5-carboxamide
SMILESC[C@]1(C(=O)NCCCn2cccn2)CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C17H19FN4O2/c1-17(16(23)19-7-3-9-22-10-4-8-20-22)12-15(21-24-17)13-5-2-6-14(18)11-13/h2,4-6,8,10-11H,3,7,9,12H2,1H3,(H,19,23)/t17-/m1/s1
InChIKeyZNEBYJMLNRVUQN-QGZVFWFLSA-N
XLogP2.11
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(3-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-4H-1,2-oxazole-5-carboxamide (CID 97465778) is (5R)-3-(3-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(3-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(3-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-4H-1,2-oxazole-5-carboxamide is C[C@]1(C(=O)NCCCn2cccn2)CC(c2cccc(F)c2)=NO1.
What is the InChIKey of (5R)-3-(3-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-4H-1,2-oxazole-5-carboxamide?
The InChIKey is ZNEBYJMLNRVUQN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-17(16(23)19-7-3-9-22-10-4-8-20-22)12-15(21-24-17)13-5-2-6-14(18)11-13/h2,4-6,8,10-11H,3,7,9,12H2,1H3,(H,19,23)/t17-/m1/s1.
What are the key properties of (5R)-3-(3-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-4H-1,2-oxazole-5-carboxamide?
(5R)-3-(3-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-4H-1,2-oxazole-5-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97465778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).