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

C14H18N2O4 — CID 108790464

IUPACN-[2-(2-hydroxyethoxy)ethyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1ccc2onc(CC(=O)NCCOCCO)c2c1
InChIInChI=1S/C14H18N2O4/c1-10-2-3-13-11(8-10)12(16-20-13)9-14(18)15-4-6-19-7-5-17/h2-3,8,17H,4-7,9H2,1H3,(H,15,18)
InChIKeyDNFRALVPHCQKAC-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.80
Rot. Bonds7

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

N-[2-(2-hydroxyethoxy)ethyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 108790464) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID108790464
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1ccc2onc(CC(=O)NCCOCCO)c2c1
InChIInChI=1S/C14H18N2O4/c1-10-2-3-13-11(8-10)12(16-20-13)9-14(18)15-4-6-19-7-5-17/h2-3,8,17H,4-7,9H2,1H3,(H,15,18)
InChIKeyDNFRALVPHCQKAC-UHFFFAOYSA-N
XLogP0.80
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2-hydroxyethoxy)ethyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457
N-(3-aminopropyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790505
N-[(4-chlorophenyl)methyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519867
3-hydroxy-2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 108803195
N-(2-methoxy-5-methylphenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519804
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 108790401
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2-methylphenyl)acetamide
CID 22519860
N-(3-fluoro-4-methylphenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519775
3-[[4-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoyl]amino]propanoic acid
CID 108803287
2-(5-methyl-1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide
CID 22519774
(5-methyl-1,2-benzoxazol-3-yl)methanol
CID 119083461
2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647250

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide (CID 108790464) is N-[2-(2-hydroxyethoxy)ethyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide is Cc1ccc2onc(CC(=O)NCCOCCO)c2c1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is DNFRALVPHCQKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10-2-3-13-11(8-10)12(16-20-13)9-14(18)15-4-6-19-7-5-17/h2-3,8,17H,4-7,9H2,1H3,(H,15,18).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
N-[2-(2-hydroxyethoxy)ethyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 278.31 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 108790464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).