3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-nitrophenyl)propanamide

C18H14FN3O4 — CID 16600080

IUPAC3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-nitrophenyl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H14FN3O4/c19-15-4-2-1-3-14(15)16-11-20-18(26-16)10-9-17(23)21-12-5-7-13(8-6-12)22(24)25/h1-8,11H,9-10H2,(H,21,23)
InChIKeyFIBBNZADTGFJAC-UHFFFAOYSA-N
MW355.33 g/mol
LogP3.96
Rot. Bonds6

About 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-nitrophenyl)propanamide

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-nitrophenyl)propanamide (PubChem CID 16600080) has the molecular formula C18H14FN3O4 and a molecular weight of 355.33 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-nitrophenyl)propanamide
PubChem CID16600080
Molecular FormulaC18H14FN3O4
Molecular Weight355.33 g/mol
Exact Mass355.10
IUPAC Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-nitrophenyl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H14FN3O4/c19-15-4-2-1-3-14(15)16-11-20-18(26-16)10-9-17(23)21-12-5-7-13(8-6-12)22(24)25/h1-8,11H,9-10H2,(H,21,23)
InChIKeyFIBBNZADTGFJAC-UHFFFAOYSA-N
XLogP3.96
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059317
(4-nitrophenyl)methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 43063041
N-(2-bromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590286
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide
CID 55497254
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 18152741
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide
CID 78866393
N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486
N-(2,4-dibromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591581
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide
CID 16590817
N,N-diethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
CID 29477491
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 18138235

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-nitrophenyl)propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-nitrophenyl)propanamide (CID 16600080) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-nitrophenyl)propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-nitrophenyl)propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-nitrophenyl)propanamide is O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-nitrophenyl)propanamide?
The InChIKey is FIBBNZADTGFJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O4/c19-15-4-2-1-3-14(15)16-11-20-18(26-16)10-9-17(23)21-12-5-7-13(8-6-12)22(24)25/h1-8,11H,9-10H2,(H,21,23).
What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-nitrophenyl)propanamide?
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-nitrophenyl)propanamide has a molecular weight of 355.33 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-nitrophenyl)propanamide is sourced from PubChem (CID 16600080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).