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

C17H17FN4O2 — CID 16676001

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2ncoc2-c2ccc(F)cc2)n1
InChIInChI=1S/C17H17FN4O2/c1-11-9-12(2)22(21-11)8-7-19-17(23)15-16(24-10-20-15)13-3-5-14(18)6-4-13/h3-6,9-10H,7-8H2,1-2H3,(H,19,23)
InChIKeyWVFYETHQLGQEBU-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.72
Rot. Bonds5

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

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 16676001) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
PubChem CID16676001
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2ncoc2-c2ccc(F)cc2)n1
InChIInChI=1S/C17H17FN4O2/c1-11-9-12(2)22(21-11)8-7-19-17(23)15-16(24-10-20-15)13-3-5-14(18)6-4-13/h3-6,9-10H,7-8H2,1-2H3,(H,19,23)
InChIKeyWVFYETHQLGQEBU-UHFFFAOYSA-N
XLogP2.72
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.72
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)ethyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide (CID 16676001) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide is Cc1cc(C)n(CCNC(=O)c2ncoc2-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is WVFYETHQLGQEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-11-9-12(2)22(21-11)8-7-19-17(23)15-16(24-10-20-15)13-3-5-14(18)6-4-13/h3-6,9-10H,7-8H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 2.72, 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)ethyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 16676001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).