N-[2-(6-hydroxy-1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide

C17H16N2O3 — CID 57136713

IUPACN-[2-(6-hydroxy-1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCc1nc2ccc(O)cc2o1
InChIInChI=1S/C17H16N2O3/c20-13-6-7-14-15(11-13)22-17(19-14)8-9-18-16(21)10-12-4-2-1-3-5-12/h1-7,11,20H,8-10H2,(H,18,21)
InChIKeyHXNFURFPQURHQD-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.43
Rot. Bonds5

About N-[2-(6-hydroxy-1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide

N-[2-(6-hydroxy-1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide (PubChem CID 57136713) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[2-(6-hydroxy-1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(6-hydroxy-1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
PubChem CID57136713
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-[2-(6-hydroxy-1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCc1nc2ccc(O)cc2o1
InChIInChI=1S/C17H16N2O3/c20-13-6-7-14-15(11-13)22-17(19-14)8-9-18-16(21)10-12-4-2-1-3-5-12/h1-7,11,20H,8-10H2,(H,18,21)
InChIKeyHXNFURFPQURHQD-UHFFFAOYSA-N
XLogP2.43
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
CID 110711803
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide
CID 110711846
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110711831
N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]-2-phenylacetamide
CID 15354942
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide
CID 110711789
2-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol
CID 22733420
N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-2-phenylacetamide
CID 56975205
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110711828
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-bromobenzamide
CID 110711791
2-benzyl-N-(2-thiophen-2-ylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089382
2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089650

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-hydroxy-1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(6-hydroxy-1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide (CID 57136713) is N-[2-(6-hydroxy-1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(6-hydroxy-1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(6-hydroxy-1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCCc1nc2ccc(O)cc2o1.
What is the InChIKey of N-[2-(6-hydroxy-1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide?
The InChIKey is HXNFURFPQURHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-13-6-7-14-15(11-13)22-17(19-14)8-9-18-16(21)10-12-4-2-1-3-5-12/h1-7,11,20H,8-10H2,(H,18,21).
What are the key properties of N-[2-(6-hydroxy-1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide?
N-[2-(6-hydroxy-1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide has a molecular weight of 296.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-hydroxy-1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 57136713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).