2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide

C19H21FN4O2 — CID 87016487

IUPAC2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
SMILESCc1cc(CN(C)C(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)no1
InChIInChI=1S/C19H21FN4O2/c1-12-9-16(22-26-12)11-23(4)19(25)10-18-13(2)21-24(14(18)3)17-7-5-15(20)6-8-17/h5-9H,10-11H2,1-4H3
InChIKeyURBDXIGNWKXOET-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.13
Rot. Bonds5

About 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide

2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide (PubChem CID 87016487) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
PubChem CID87016487
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
SMILESCc1cc(CN(C)C(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)no1
InChIInChI=1S/C19H21FN4O2/c1-12-9-16(22-26-12)11-23(4)19(25)10-18-13(2)21-24(14(18)3)17-7-5-15(20)6-8-17/h5-9H,10-11H2,1-4H3
InChIKeyURBDXIGNWKXOET-UHFFFAOYSA-N
XLogP3.13
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide (CID 87016487) is 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide is Cc1cc(CN(C)C(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)no1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide?
The InChIKey is URBDXIGNWKXOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-12-9-16(22-26-12)11-23(4)19(25)10-18-13(2)21-24(14(18)3)17-7-5-15(20)6-8-17/h5-9H,10-11H2,1-4H3.
What are the key properties of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide?
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide has a molecular weight of 356.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide is sourced from PubChem (CID 87016487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).