N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide

C17H16N2O2 — CID 3115982

IUPACN-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCCc1ccc2oc(-c3ccc(NC(C)=O)cc3)nc2c1
InChIInChI=1S/C17H16N2O2/c1-3-12-4-9-16-15(10-12)19-17(21-16)13-5-7-14(8-6-13)18-11(2)20/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyLAQMDWCAUZBPOJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.02
Rot. Bonds3

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

N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide (PubChem CID 3115982) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
PubChem CID3115982
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCCc1ccc2oc(-c3ccc(NC(C)=O)cc3)nc2c1
InChIInChI=1S/C17H16N2O2/c1-3-12-4-9-16-15(10-12)19-17(21-16)13-5-7-14(8-6-13)18-11(2)20/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyLAQMDWCAUZBPOJ-UHFFFAOYSA-N
XLogP4.02
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide (CID 3115982) is N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide is CCc1ccc2oc(-c3ccc(NC(C)=O)cc3)nc2c1.
What is the InChIKey of N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The InChIKey is LAQMDWCAUZBPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-3-12-4-9-16-15(10-12)19-17(21-16)13-5-7-14(8-6-13)18-11(2)20/h4-10H,3H2,1-2H3,(H,18,20).
What are the key properties of N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide has a molecular weight of 280.33 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 3115982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).