N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylpropanamide

C14H17FN2O3 — CID 171801841

IUPACN-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1CC(c2ccc(O)c(F)c2)=NO1
InChIInChI=1S/C14H17FN2O3/c1-8(2)14(19)16-7-10-6-12(17-20-10)9-3-4-13(18)11(15)5-9/h3-5,8,10,18H,6-7H2,1-2H3,(H,16,19)
InChIKeyVLMIVKCAPSIHSZ-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.80
Rot. Bonds4

About N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylpropanamide

N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylpropanamide (PubChem CID 171801841) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylpropanamide
PubChem CID171801841
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC NameN-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1CC(c2ccc(O)c(F)c2)=NO1
InChIInChI=1S/C14H17FN2O3/c1-8(2)14(19)16-7-10-6-12(17-20-10)9-3-4-13(18)11(15)5-9/h3-5,8,10,18H,6-7H2,1-2H3,(H,16,19)
InChIKeyVLMIVKCAPSIHSZ-UHFFFAOYSA-N
XLogP1.80
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylpropanamide (CID 171801841) is N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCC1CC(c2ccc(O)c(F)c2)=NO1.
What is the InChIKey of N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylpropanamide?
The InChIKey is VLMIVKCAPSIHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-8(2)14(19)16-7-10-6-12(17-20-10)9-3-4-13(18)11(15)5-9/h3-5,8,10,18H,6-7H2,1-2H3,(H,16,19).
What are the key properties of N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylpropanamide?
N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylpropanamide has a molecular weight of 280.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 171801841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).