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

C17H19FN4O2 — CID 19493404

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1nn(C)cc1C(C)NC(=O)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C17H19FN4O2/c1-10(14-9-22(3)20-11(14)2)19-17(23)16-8-15(21-24-16)12-4-6-13(18)7-5-12/h4-7,9-10,16H,8H2,1-3H3,(H,19,23)
InChIKeyGCZJTJLMCJMVLO-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.24
Rot. Bonds4

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

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19493404) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19493404
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1nn(C)cc1C(C)NC(=O)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C17H19FN4O2/c1-10(14-9-22(3)20-11(14)2)19-17(23)16-8-15(21-24-16)12-4-6-13(18)7-5-12/h4-7,9-10,16H,8H2,1-3H3,(H,19,23)
InChIKeyGCZJTJLMCJMVLO-UHFFFAOYSA-N
XLogP2.24
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19493404) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1nn(C)cc1C(C)NC(=O)C1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is GCZJTJLMCJMVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-10(14-9-22(3)20-11(14)2)19-17(23)16-8-15(21-24-16)12-4-6-13(18)7-5-12/h4-7,9-10,16H,8H2,1-3H3,(H,19,23).
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19493404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).