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

C16H19FN2O2 — CID 22221434

IUPACN-butyl-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
SMILESCCCCNC(=O)CCc1cnoc1-c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2/c1-2-3-10-18-15(20)9-6-13-11-19-21-16(13)12-4-7-14(17)8-5-12/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,18,20)
InChIKeyBXDABILEONRGSR-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.33
Rot. Bonds7

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

N-butyl-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide (PubChem CID 22221434) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-butyl-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-butyl-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
PubChem CID22221434
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-butyl-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
SMILESCCCCNC(=O)CCc1cnoc1-c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2/c1-2-3-10-18-15(20)9-6-13-11-19-21-16(13)12-4-7-14(17)8-5-12/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,18,20)
InChIKeyBXDABILEONRGSR-UHFFFAOYSA-N
XLogP3.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-(2-piperidin-1-ylethyl)propanamide
CID 22221388
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 22221453
3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 22221309
3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 22221075
3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-(2-piperidin-1-ylethyl)propanamide;2,2,2-trifluoroacetic acid
CID 22221387
3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-(2-pyridin-3-ylethyl)propanamide;2,2,2-trifluoroacetic acid
CID 22221198
3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-(pyridin-4-ylmethyl)propanamide;2,2,2-trifluoroacetic acid
CID 22221415
N-[4-(diethoxyphosphorylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 10276319
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pentylbutanamide
CID 38885235
N-[4-(2-diethoxyphosphorylethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 22221166
N-ethyl-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-(2-methoxyethyl)propanamide
CID 22221263
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 139920480

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-butyl-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide (CID 22221434) is N-butyl-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-butyl-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-butyl-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide is CCCCNC(=O)CCc1cnoc1-c1ccc(F)cc1.
What is the InChIKey of N-butyl-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The InChIKey is BXDABILEONRGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-2-3-10-18-15(20)9-6-13-11-19-21-16(13)12-4-7-14(17)8-5-12/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,18,20).
What are the key properties of N-butyl-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
N-butyl-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide has a molecular weight of 290.34 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 22221434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).