2-(1,2-benzoxazol-3-yl)-N-butyl-N-(2-chloroethyl)acetamide

C15H19ClN2O2 — CID 63391205

IUPAC2-(1,2-benzoxazol-3-yl)-N-butyl-N-(2-chloroethyl)acetamide
SMILESCCCCN(CCCl)C(=O)Cc1noc2ccccc12
InChIInChI=1S/C15H19ClN2O2/c1-2-3-9-18(10-8-16)15(19)11-13-12-6-4-5-7-14(12)20-17-13/h4-7H,2-3,8-11H2,1H3
InChIKeyGEHKWUTZRHKCKZ-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.24
Rot. Bonds7

About 2-(1,2-benzoxazol-3-yl)-N-butyl-N-(2-chloroethyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-butyl-N-(2-chloroethyl)acetamide (PubChem CID 63391205) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-butyl-N-(2-chloroethyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-butyl-N-(2-chloroethyl)acetamide
PubChem CID63391205
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-butyl-N-(2-chloroethyl)acetamide
SMILESCCCCN(CCCl)C(=O)Cc1noc2ccccc12
InChIInChI=1S/C15H19ClN2O2/c1-2-3-9-18(10-8-16)15(19)11-13-12-6-4-5-7-14(12)20-17-13/h4-7H,2-3,8-11H2,1H3
InChIKeyGEHKWUTZRHKCKZ-UHFFFAOYSA-N
XLogP3.24
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N,N-bis(2-methoxyethyl)acetamide
CID 86907964
2-[[2-(1,2-benzoxazol-3-yl)acetyl]-ethylamino]acetic acid
CID 54901072
2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115772705
N-(2-aminoethyl)-2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide
CID 120885988
2-(1,2-benzoxazol-3-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039197
2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide
CID 78855126
2-(1,2-benzoxazol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 113337577
3-[[2-(1,2-benzoxazol-3-yl)acetyl]-methylamino]propanoic acid
CID 60988386
N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
CID 119585056
2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide
CID 22519666
2-[[2-(1,2-benzoxazol-3-yl)acetyl]-butan-2-ylamino]acetic acid
CID 60828052
2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide
CID 9206772

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-butyl-N-(2-chloroethyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-butyl-N-(2-chloroethyl)acetamide (CID 63391205) is 2-(1,2-benzoxazol-3-yl)-N-butyl-N-(2-chloroethyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-butyl-N-(2-chloroethyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-butyl-N-(2-chloroethyl)acetamide is CCCCN(CCCl)C(=O)Cc1noc2ccccc12.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-butyl-N-(2-chloroethyl)acetamide?
The InChIKey is GEHKWUTZRHKCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-2-3-9-18(10-8-16)15(19)11-13-12-6-4-5-7-14(12)20-17-13/h4-7H,2-3,8-11H2,1H3.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-butyl-N-(2-chloroethyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-butyl-N-(2-chloroethyl)acetamide has a molecular weight of 294.78 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-butyl-N-(2-chloroethyl)acetamide is sourced from PubChem (CID 63391205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).