N-[7-fluoro-6-(2-oxopropyl)-1,3-benzoxazol-2-yl]benzamide

C17H13FN2O3 — CID 71220947

IUPACN-[7-fluoro-6-(2-oxopropyl)-1,3-benzoxazol-2-yl]benzamide
SMILESCC(=O)Cc1ccc2nc(NC(=O)c3ccccc3)oc2c1F
InChIInChI=1S/C17H13FN2O3/c1-10(21)9-12-7-8-13-15(14(12)18)23-17(19-13)20-16(22)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,19,20,22)
InChIKeyZTRJJZPDWGBPFF-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.35
Rot. Bonds4

About N-[7-fluoro-6-(2-oxopropyl)-1,3-benzoxazol-2-yl]benzamide

N-[7-fluoro-6-(2-oxopropyl)-1,3-benzoxazol-2-yl]benzamide (PubChem CID 71220947) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is N-[7-fluoro-6-(2-oxopropyl)-1,3-benzoxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[7-fluoro-6-(2-oxopropyl)-1,3-benzoxazol-2-yl]benzamide
PubChem CID71220947
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC NameN-[7-fluoro-6-(2-oxopropyl)-1,3-benzoxazol-2-yl]benzamide
SMILESCC(=O)Cc1ccc2nc(NC(=O)c3ccccc3)oc2c1F
InChIInChI=1S/C17H13FN2O3/c1-10(21)9-12-7-8-13-15(14(12)18)23-17(19-13)20-16(22)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,19,20,22)
InChIKeyZTRJJZPDWGBPFF-UHFFFAOYSA-N
XLogP3.35
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-oxo-3,1-benzoxazin-2-yl)benzamide
CID 10400687
methyl 2-[7-fluoro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetate
CID 58778451
N-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]benzamide
CID 70957878
N-acridin-9-ylbenzamide
CID 40532924
3-bromo-N-(7-methyl-[1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)benzamide
CID 118507162
N-(2,6-difluoro-3-methylphenyl)benzamide
CID 82819371
2-[7-chloro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetic acid
CID 86225280
(7-amino-1,3-benzoxazol-2-yl)carbamic acid
CID 146371420
2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 52907899
N-[(3-ethyl-6-methyl-2-pyridinyl)carbamothioyl]benzamide
CID 126619395
N-(2,4-diethyldibenzofuran-1-yl)benzamide
CID 123671650
[4-[(2-benzo[g][1,3]benzoxazol-2-ylphenyl)carbamoyl]phenyl] acetate
CID 4158404

Frequently Asked Questions

What is the IUPAC name of N-[7-fluoro-6-(2-oxopropyl)-1,3-benzoxazol-2-yl]benzamide?
The IUPAC name of N-[7-fluoro-6-(2-oxopropyl)-1,3-benzoxazol-2-yl]benzamide (CID 71220947) is N-[7-fluoro-6-(2-oxopropyl)-1,3-benzoxazol-2-yl]benzamide.
What is the SMILES notation for N-[7-fluoro-6-(2-oxopropyl)-1,3-benzoxazol-2-yl]benzamide?
The canonical SMILES for N-[7-fluoro-6-(2-oxopropyl)-1,3-benzoxazol-2-yl]benzamide is CC(=O)Cc1ccc2nc(NC(=O)c3ccccc3)oc2c1F.
What is the InChIKey of N-[7-fluoro-6-(2-oxopropyl)-1,3-benzoxazol-2-yl]benzamide?
The InChIKey is ZTRJJZPDWGBPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-10(21)9-12-7-8-13-15(14(12)18)23-17(19-13)20-16(22)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,19,20,22).
What are the key properties of N-[7-fluoro-6-(2-oxopropyl)-1,3-benzoxazol-2-yl]benzamide?
N-[7-fluoro-6-(2-oxopropyl)-1,3-benzoxazol-2-yl]benzamide has a molecular weight of 312.30 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-fluoro-6-(2-oxopropyl)-1,3-benzoxazol-2-yl]benzamide is sourced from PubChem (CID 71220947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).