2-fluoro-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide

C23H19FN2O2 — CID 2911829

IUPAC2-fluoro-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccccc4F)cc3)nc2c1
InChIInChI=1S/C23H19FN2O2/c1-14(2)16-9-12-21-20(13-16)26-23(28-21)15-7-10-17(11-8-15)25-22(27)18-5-3-4-6-19(18)24/h3-14H,1-2H3,(H,25,27)
InChIKeyKCHVCBWPWBJKQH-UHFFFAOYSA-N
MW374.42 g/mol
LogP6.01
Rot. Bonds4

About 2-fluoro-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide

2-fluoro-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 2911829) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-fluoro-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID2911829
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name2-fluoro-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccccc4F)cc3)nc2c1
InChIInChI=1S/C23H19FN2O2/c1-14(2)16-9-12-21-20(13-16)26-23(28-21)15-7-10-17(11-8-15)25-22(27)18-5-3-4-6-19(18)24/h3-14H,1-2H3,(H,25,27)
InChIKeyKCHVCBWPWBJKQH-UHFFFAOYSA-N
XLogP6.01
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 2911829) is 2-fluoro-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide is CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccccc4F)cc3)nc2c1.
What is the InChIKey of 2-fluoro-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is KCHVCBWPWBJKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-14(2)16-9-12-21-20(13-16)26-23(28-21)15-7-10-17(11-8-15)25-22(27)18-5-3-4-6-19(18)24/h3-14H,1-2H3,(H,25,27).
What are the key properties of 2-fluoro-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide?
2-fluoro-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 374.42 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 2911829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).