N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide

C17H15ClN2O2 — CID 936847

IUPACN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C17H15ClN2O2/c1-10(2)16(21)19-13-6-3-11(4-7-13)17-20-14-9-12(18)5-8-15(14)22-17/h3-10H,1-2H3,(H,19,21)
InChIKeyHQAPWAGCLOKTMM-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.74
Rot. Bonds3

About N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide

N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide (PubChem CID 936847) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
PubChem CID936847
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC NameN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C17H15ClN2O2/c1-10(2)16(21)19-13-6-3-11(4-7-13)17-20-14-9-12(18)5-8-15(14)22-17/h3-10H,1-2H3,(H,19,21)
InChIKeyHQAPWAGCLOKTMM-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-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide (CID 936847) is N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?
The InChIKey is HQAPWAGCLOKTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-10(2)16(21)19-13-6-3-11(4-7-13)17-20-14-9-12(18)5-8-15(14)22-17/h3-10H,1-2H3,(H,19,21).
What are the key properties of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-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-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 936847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).