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

C19H25FN2O3 — CID 111480516

IUPAC3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
SMILESCC(O)CC(C)(C)CNC(=O)CCc1ncc(-c2ccccc2F)o1
InChIInChI=1S/C19H25FN2O3/c1-13(23)10-19(2,3)12-22-17(24)8-9-18-21-11-16(25-18)14-6-4-5-7-15(14)20/h4-7,11,13,23H,8-10,12H2,1-3H3,(H,22,24)
InChIKeyGEKWZZYSQLAILB-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.33
Rot. Bonds8

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

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide (PubChem CID 111480516) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
PubChem CID111480516
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
SMILESCC(O)CC(C)(C)CNC(=O)CCc1ncc(-c2ccccc2F)o1
InChIInChI=1S/C19H25FN2O3/c1-13(23)10-19(2,3)12-22-17(24)8-9-18-21-11-16(25-18)14-6-4-5-7-15(14)20/h4-7,11,13,23H,8-10,12H2,1-3H3,(H,22,24)
InChIKeyGEKWZZYSQLAILB-UHFFFAOYSA-N
XLogP3.33
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-2,2-dimethylpentyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111479718
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119506652
1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021740
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 86836130
(2S)-2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-4-methylpentanoic acid
CID 119361228
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695986
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 18152741
2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-methylpentanamide
CID 86915668
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41433415
N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486
N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18137368
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 134036431

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide (CID 111480516) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide is CC(O)CC(C)(C)CNC(=O)CCc1ncc(-c2ccccc2F)o1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide?
The InChIKey is GEKWZZYSQLAILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-13(23)10-19(2,3)12-22-17(24)8-9-18-21-11-16(25-18)14-6-4-5-7-15(14)20/h4-7,11,13,23H,8-10,12H2,1-3H3,(H,22,24).
What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide?
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide has a molecular weight of 348.42 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide is sourced from PubChem (CID 111480516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).