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

C18H18N2O3 — CID 110707409

IUPACN-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NCCc1ccc2ocnc2c1
InChIInChI=1S/C18H18N2O3/c1-22-16-5-3-2-4-14(16)11-18(21)19-9-8-13-6-7-17-15(10-13)20-12-23-17/h2-7,10,12H,8-9,11H2,1H3,(H,19,21)
InChIKeyFGNFGDAQYISLGJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.74
Rot. Bonds6

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

N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-methoxyphenyl)acetamide (PubChem CID 110707409) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-methoxyphenyl)acetamide
PubChem CID110707409
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NCCc1ccc2ocnc2c1
InChIInChI=1S/C18H18N2O3/c1-22-16-5-3-2-4-14(16)11-18(21)19-9-8-13-6-7-17-15(10-13)20-12-23-17/h2-7,10,12H,8-9,11H2,1H3,(H,19,21)
InChIKeyFGNFGDAQYISLGJ-UHFFFAOYSA-N
XLogP2.74
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110707405
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 110796038
methyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate
CID 110707385
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110707393
3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 110707517
N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110707373
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 110796037
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-chlorobenzamide
CID 110707375
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide
CID 110790940
2-(5-fluoro-2-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 110767149
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-methoxyphenyl)acetamide (CID 110707409) is N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NCCc1ccc2ocnc2c1.
What is the InChIKey of N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is FGNFGDAQYISLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-16-5-3-2-4-14(16)11-18(21)19-9-8-13-6-7-17-15(10-13)20-12-23-17/h2-7,10,12H,8-9,11H2,1H3,(H,19,21).
What are the key properties of N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-methoxyphenyl)acetamide?
N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 110707409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).