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

C17H19FN4O2 — CID 118755129

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1cc(CNC(=O)C2CC(Cc3ccc(F)cc3)=NO2)cn1
InChIInChI=1S/C17H19FN4O2/c1-2-22-11-13(10-20-22)9-19-17(23)16-8-15(21-24-16)7-12-3-5-14(18)6-4-12/h3-6,10-11,16H,2,7-9H2,1H3,(H,19,23)
InChIKeyWFWKKSAIRSQNRJ-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.05
Rot. Bonds6

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

N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 118755129) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID118755129
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1cc(CNC(=O)C2CC(Cc3ccc(F)cc3)=NO2)cn1
InChIInChI=1S/C17H19FN4O2/c1-2-22-11-13(10-20-22)9-19-17(23)16-8-15(21-24-16)7-12-3-5-14(18)6-4-12/h3-6,10-11,16H,2,7-9H2,1H3,(H,19,23)
InChIKeyWFWKKSAIRSQNRJ-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 118755129) is N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CCn1cc(CNC(=O)C2CC(Cc3ccc(F)cc3)=NO2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is WFWKKSAIRSQNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-2-22-11-13(10-20-22)9-19-17(23)16-8-15(21-24-16)7-12-3-5-14(18)6-4-12/h3-6,10-11,16H,2,7-9H2,1H3,(H,19,23).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 118755129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).