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

C19H23FN4O2 — CID 16677280

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1cc(C)n(C(C)CNC(=O)C2ON=C(c3ccc(F)cc3)C2C)n1
InChIInChI=1S/C19H23FN4O2/c1-11-9-12(2)24(22-11)13(3)10-21-19(25)18-14(4)17(23-26-18)15-5-7-16(20)8-6-15/h5-9,13-14,18H,10H2,1-4H3,(H,21,25)
InChIKeyOPLYWSWINZMRIC-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.76
Rot. Bonds5

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

N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 16677280) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID16677280
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1cc(C)n(C(C)CNC(=O)C2ON=C(c3ccc(F)cc3)C2C)n1
InChIInChI=1S/C19H23FN4O2/c1-11-9-12(2)24(22-11)13(3)10-21-19(25)18-14(4)17(23-26-18)15-5-7-16(20)8-6-15/h5-9,13-14,18H,10H2,1-4H3,(H,21,25)
InChIKeyOPLYWSWINZMRIC-UHFFFAOYSA-N
XLogP2.76
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 16677280) is N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1cc(C)n(C(C)CNC(=O)C2ON=C(c3ccc(F)cc3)C2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is OPLYWSWINZMRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-11-9-12(2)24(22-11)13(3)10-21-19(25)18-14(4)17(23-26-18)15-5-7-16(20)8-6-15/h5-9,13-14,18H,10H2,1-4H3,(H,21,25).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16677280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).