N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-2-hydroxy-2-methylpropanamide

C17H15FN2O3 — CID 163367426

IUPACN-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1ccc(-c2nc3cccc(F)c3o2)cc1
InChIInChI=1S/C17H15FN2O3/c1-17(2,22)16(21)19-11-8-6-10(7-9-11)15-20-13-5-3-4-12(18)14(13)23-15/h3-9,22H,1-2H3,(H,19,21)
InChIKeyPNLOTYUOARJVSH-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.34
Rot. Bonds3

About N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-2-hydroxy-2-methylpropanamide

N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-2-hydroxy-2-methylpropanamide (PubChem CID 163367426) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-2-hydroxy-2-methylpropanamide
PubChem CID163367426
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC NameN-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1ccc(-c2nc3cccc(F)c3o2)cc1
InChIInChI=1S/C17H15FN2O3/c1-17(2,22)16(21)19-11-8-6-10(7-9-11)15-20-13-5-3-4-12(18)14(13)23-15/h3-9,22H,1-2H3,(H,19,21)
InChIKeyPNLOTYUOARJVSH-UHFFFAOYSA-N
XLogP3.34
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-2-(4-fluorophenyl)-1,3-benzoxazole
CID 82231372
N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,4-dioxane-2-carboxamide
CID 163367449
N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 163367383
7-tert-butyl-2-(4-fluorophenyl)-1,3-benzoxazole
CID 82233477
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
(E)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(2-fluorophenyl)prop-2-enamide
CID 16581005
N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide
CID 30308576
2-(4-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid
CID 59625768
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2,2-dimethylpropanamide
CID 17101697
N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 17334885
N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide
CID 9203602
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-2-methylpropanamide
CID 167932541

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-2-hydroxy-2-methylpropanamide (CID 163367426) is N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-2-hydroxy-2-methylpropanamide is CC(C)(O)C(=O)Nc1ccc(-c2nc3cccc(F)c3o2)cc1.
What is the InChIKey of N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-2-hydroxy-2-methylpropanamide?
The InChIKey is PNLOTYUOARJVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-17(2,22)16(21)19-11-8-6-10(7-9-11)15-20-13-5-3-4-12(18)14(13)23-15/h3-9,22H,1-2H3,(H,19,21).
What are the key properties of N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-2-hydroxy-2-methylpropanamide?
N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 314.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 163367426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).