N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide

C17H16N2O2 — CID 110711803

IUPACN-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCc1nc2ccccc2o1
InChIInChI=1S/C17H16N2O2/c20-16(12-13-6-2-1-3-7-13)18-11-10-17-19-14-8-4-5-9-15(14)21-17/h1-9H,10-12H2,(H,18,20)
InChIKeyIBPORMMZRSTSMC-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.73
Rot. Bonds5

About N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide

N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide (PubChem CID 110711803) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
PubChem CID110711803
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCc1nc2ccccc2o1
InChIInChI=1S/C17H16N2O2/c20-16(12-13-6-2-1-3-7-13)18-11-10-17-19-14-8-4-5-9-15(14)21-17/h1-9H,10-12H2,(H,18,20)
InChIKeyIBPORMMZRSTSMC-UHFFFAOYSA-N
XLogP2.73
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6-hydroxy-1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
CID 57136713
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide
CID 110711846
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110711828
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110711831
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-bromobenzamide
CID 110711791
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 110711850
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide
CID 110711789
2-(1,3-benzoxazol-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 131910422
3-(1,3-benzoxazol-2-yl)propanoic acid
CID 2474218
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 110711884
N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 110475867
N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 118776844

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide (CID 110711803) is N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCCc1nc2ccccc2o1.
What is the InChIKey of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide?
The InChIKey is IBPORMMZRSTSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-16(12-13-6-2-1-3-7-13)18-11-10-17-19-14-8-4-5-9-15(14)21-17/h1-9H,10-12H2,(H,18,20).
What are the key properties of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide?
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide has a molecular weight of 280.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 110711803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).