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

C18H19FN4O2 — CID 46959425

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ncoc2-c2ccc(F)cc2)n1
InChIInChI=1S/C18H19FN4O2/c1-12-10-13(2)23(22-12)9-3-8-20-18(24)16-17(25-11-21-16)14-4-6-15(19)7-5-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,24)
InChIKeyZMEKAQVBCHWGCI-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.11
Rot. Bonds6

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

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 46959425) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
PubChem CID46959425
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ncoc2-c2ccc(F)cc2)n1
InChIInChI=1S/C18H19FN4O2/c1-12-10-13(2)23(22-12)9-3-8-20-18(24)16-17(25-11-21-16)14-4-6-15(19)7-5-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,24)
InChIKeyZMEKAQVBCHWGCI-UHFFFAOYSA-N
XLogP3.11
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide (CID 46959425) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide is Cc1cc(C)n(CCCNC(=O)c2ncoc2-c2ccc(F)cc2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ZMEKAQVBCHWGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-12-10-13(2)23(22-12)9-3-8-20-18(24)16-17(25-11-21-16)14-4-6-15(19)7-5-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,24).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46959425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).