N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide

C17H15ClN2O2 — CID 53238363

IUPACN-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)oc2c1
InChIInChI=1S/C17H15ClN2O2/c1-10(2)16(21)19-13-7-8-14-15(9-13)22-17(20-14)11-3-5-12(18)6-4-11/h3-10H,1-2H3,(H,19,21)
InChIKeyVDLPKXBZNBOONZ-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.74
Rot. Bonds3

About N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide

N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide (PubChem CID 53238363) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide
PubChem CID53238363
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC NameN-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)oc2c1
InChIInChI=1S/C17H15ClN2O2/c1-10(2)16(21)19-13-7-8-14-15(9-13)22-17(20-14)11-3-5-12(18)6-4-11/h3-10H,1-2H3,(H,19,21)
InChIKeyVDLPKXBZNBOONZ-UHFFFAOYSA-N
XLogP4.74
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide (CID 53238363) is N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)oc2c1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide?
The InChIKey is VDLPKXBZNBOONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-10(2)16(21)19-13-7-8-14-15(9-13)22-17(20-14)11-3-5-12(18)6-4-11/h3-10H,1-2H3,(H,19,21).
What are the key properties of N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide?
N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide has a molecular weight of 314.77 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-methylpropanamide is sourced from PubChem (CID 53238363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).