2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-methylpentanamide

C18H22FN3O3 — CID 86915668

IUPAC2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)CCc1ncc(-c2ccccc2F)o1)C(N)=O
InChIInChI=1S/C18H22FN3O3/c1-3-11(2)17(18(20)24)22-15(23)8-9-16-21-10-14(25-16)12-6-4-5-7-13(12)19/h4-7,10-11,17H,3,8-9H2,1-2H3,(H2,20,24)(H,22,23)
InChIKeyBCGSPBUFOKMGLN-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.43
Rot. Bonds8

About 2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-methylpentanamide

2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-methylpentanamide (PubChem CID 86915668) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-methylpentanamide.

Molecular Properties

Compound Name2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-methylpentanamide
PubChem CID86915668
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)CCc1ncc(-c2ccccc2F)o1)C(N)=O
InChIInChI=1S/C18H22FN3O3/c1-3-11(2)17(18(20)24)22-15(23)8-9-16-21-10-14(25-16)12-6-4-5-7-13(12)19/h4-7,10-11,17H,3,8-9H2,1-2H3,(H2,20,24)(H,22,23)
InChIKeyBCGSPBUFOKMGLN-UHFFFAOYSA-N
XLogP2.43
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41433415
N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 43067897
(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-(2-propoxyphenyl)propanamide
CID 46538866
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119506652
N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
CID 111480516
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide
CID 16590817
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 18152741
(4-methylphenyl)methyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55508434
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 18138235
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 16593036

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-methylpentanamide?
The IUPAC name of 2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-methylpentanamide (CID 86915668) is 2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-methylpentanamide.
What is the SMILES notation for 2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-methylpentanamide?
The canonical SMILES for 2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-methylpentanamide is CCC(C)C(NC(=O)CCc1ncc(-c2ccccc2F)o1)C(N)=O.
What is the InChIKey of 2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-methylpentanamide?
The InChIKey is BCGSPBUFOKMGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-3-11(2)17(18(20)24)22-15(23)8-9-16-21-10-14(25-16)12-6-4-5-7-13(12)19/h4-7,10-11,17H,3,8-9H2,1-2H3,(H2,20,24)(H,22,23).
What are the key properties of 2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-methylpentanamide?
2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-methylpentanamide has a molecular weight of 347.39 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-methylpentanamide is sourced from PubChem (CID 86915668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).