3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-pyrazol-1-ylpropyl)propanamide

C18H18F2N4O2 — CID 43062500

IUPAC3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
SMILESO=C(CCc1ncc(-c2c(F)cccc2F)o1)NCCCn1cccn1
InChIInChI=1S/C18H18F2N4O2/c19-13-4-1-5-14(20)18(13)15-12-22-17(26-15)7-6-16(25)21-8-2-10-24-11-3-9-23-24/h1,3-5,9,11-12H,2,6-8,10H2,(H,21,25)
InChIKeyYHVKGMZBLMYTGD-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.96
Rot. Bonds8

About 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-pyrazol-1-ylpropyl)propanamide

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-pyrazol-1-ylpropyl)propanamide (PubChem CID 43062500) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-pyrazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
PubChem CID43062500
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
SMILESO=C(CCc1ncc(-c2c(F)cccc2F)o1)NCCCn1cccn1
InChIInChI=1S/C18H18F2N4O2/c19-13-4-1-5-14(20)18(13)15-12-22-17(26-15)7-6-16(25)21-8-2-10-24-11-3-9-23-24/h1,3-5,9,11-12H,2,6-8,10H2,(H,21,25)
InChIKeyYHVKGMZBLMYTGD-UHFFFAOYSA-N
XLogP2.96
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,2-diphenylethyl)propanamide
CID 46446286
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 43067002
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide
CID 17454266
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 46688995
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-4-ylethyl)propanamide
CID 46418774
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 24612914
N-(4-acetylphenyl)-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 25399121
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide
CID 46418733
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 30873277
N-[4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]-3-methylbutanamide
CID 33037356
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119506652
N-(1-adamantyl)-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17445582

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-pyrazol-1-ylpropyl)propanamide?
The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-pyrazol-1-ylpropyl)propanamide (CID 43062500) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-pyrazol-1-ylpropyl)propanamide.
What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-pyrazol-1-ylpropyl)propanamide?
The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-pyrazol-1-ylpropyl)propanamide is O=C(CCc1ncc(-c2c(F)cccc2F)o1)NCCCn1cccn1.
What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-pyrazol-1-ylpropyl)propanamide?
The InChIKey is YHVKGMZBLMYTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c19-13-4-1-5-14(20)18(13)15-12-22-17(26-15)7-6-16(25)21-8-2-10-24-11-3-9-23-24/h1,3-5,9,11-12H,2,6-8,10H2,(H,21,25).
What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-pyrazol-1-ylpropyl)propanamide?
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-pyrazol-1-ylpropyl)propanamide has a molecular weight of 360.36 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-pyrazol-1-ylpropyl)propanamide is sourced from PubChem (CID 43062500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).