3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide

C17H21FN2O3 — CID 111695986

IUPAC3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide
SMILESCC(O)CCN(C)C(=O)CCc1ncc(-c2ccccc2F)o1
InChIInChI=1S/C17H21FN2O3/c1-12(21)9-10-20(2)17(22)8-7-16-19-11-15(23-16)13-5-3-4-6-14(13)18/h3-6,11-12,21H,7-10H2,1-2H3
InChIKeyGNDPJNVVJFALAS-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.64
Rot. Bonds7

About 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide (PubChem CID 111695986) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide
PubChem CID111695986
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide
SMILESCC(O)CCN(C)C(=O)CCc1ncc(-c2ccccc2F)o1
InChIInChI=1S/C17H21FN2O3/c1-12(21)9-10-20(2)17(22)8-7-16-19-11-15(23-16)13-5-3-4-6-14(13)18/h3-6,11-12,21H,7-10H2,1-2H3
InChIKeyGNDPJNVVJFALAS-UHFFFAOYSA-N
XLogP2.64
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886027
N-(3-hydroxybutyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111695400
N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18137368
N-[2-(dimethylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 78882579
N-[(2,4-dimethylphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18168838
N-(2,5-dimethylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropanamide
CID 56502105
N-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride
CID 120886717
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
CID 111480516
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-(1-phenylethyl)propanamide
CID 51312353
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886031
N-[(5-bromo-2-methoxyphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29416428
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide
CID 16590817

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide (CID 111695986) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide is CC(O)CCN(C)C(=O)CCc1ncc(-c2ccccc2F)o1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide?
The InChIKey is GNDPJNVVJFALAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-12(21)9-10-20(2)17(22)8-7-16-19-11-15(23-16)13-5-3-4-6-14(13)18/h3-6,11-12,21H,7-10H2,1-2H3.
What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide?
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide has a molecular weight of 320.36 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 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-(3-hydroxybutyl)-N-methylpropanamide is sourced from PubChem (CID 111695986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).