2-chloro-N-[(3,3-dimethyloxolan-2-yl)methyl]-N-[(5-ethyl-1,2-oxazol-3-yl)methyl]acetamide

C15H23ClN2O3 — CID 166423655

IUPAC2-chloro-N-[(3,3-dimethyloxolan-2-yl)methyl]-N-[(5-ethyl-1,2-oxazol-3-yl)methyl]acetamide
SMILESCCc1cc(CN(CC2OCCC2(C)C)C(=O)CCl)no1
InChIInChI=1S/C15H23ClN2O3/c1-4-12-7-11(17-21-12)9-18(14(19)8-16)10-13-15(2,3)5-6-20-13/h7,13H,4-6,8-10H2,1-3H3
InChIKeyWXGXFTSMSREWQR-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.62
Rot. Bonds6

About 2-chloro-N-[(3,3-dimethyloxolan-2-yl)methyl]-N-[(5-ethyl-1,2-oxazol-3-yl)methyl]acetamide

2-chloro-N-[(3,3-dimethyloxolan-2-yl)methyl]-N-[(5-ethyl-1,2-oxazol-3-yl)methyl]acetamide (PubChem CID 166423655) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-chloro-N-[(3,3-dimethyloxolan-2-yl)methyl]-N-[(5-ethyl-1,2-oxazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3,3-dimethyloxolan-2-yl)methyl]-N-[(5-ethyl-1,2-oxazol-3-yl)methyl]acetamide
PubChem CID166423655
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-chloro-N-[(3,3-dimethyloxolan-2-yl)methyl]-N-[(5-ethyl-1,2-oxazol-3-yl)methyl]acetamide
SMILESCCc1cc(CN(CC2OCCC2(C)C)C(=O)CCl)no1
InChIInChI=1S/C15H23ClN2O3/c1-4-12-7-11(17-21-12)9-18(14(19)8-16)10-13-15(2,3)5-6-20-13/h7,13H,4-6,8-10H2,1-3H3
InChIKeyWXGXFTSMSREWQR-UHFFFAOYSA-N
XLogP2.62
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,3-dimethyloxolan-2-yl)methyl]-N-[(5-ethyl-1,2-oxazol-3-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(3,3-dimethyloxolan-2-yl)methyl]-N-[(5-ethyl-1,2-oxazol-3-yl)methyl]acetamide (CID 166423655) is 2-chloro-N-[(3,3-dimethyloxolan-2-yl)methyl]-N-[(5-ethyl-1,2-oxazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3,3-dimethyloxolan-2-yl)methyl]-N-[(5-ethyl-1,2-oxazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(3,3-dimethyloxolan-2-yl)methyl]-N-[(5-ethyl-1,2-oxazol-3-yl)methyl]acetamide is CCc1cc(CN(CC2OCCC2(C)C)C(=O)CCl)no1.
What is the InChIKey of 2-chloro-N-[(3,3-dimethyloxolan-2-yl)methyl]-N-[(5-ethyl-1,2-oxazol-3-yl)methyl]acetamide?
The InChIKey is WXGXFTSMSREWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-4-12-7-11(17-21-12)9-18(14(19)8-16)10-13-15(2,3)5-6-20-13/h7,13H,4-6,8-10H2,1-3H3.
What are the key properties of 2-chloro-N-[(3,3-dimethyloxolan-2-yl)methyl]-N-[(5-ethyl-1,2-oxazol-3-yl)methyl]acetamide?
2-chloro-N-[(3,3-dimethyloxolan-2-yl)methyl]-N-[(5-ethyl-1,2-oxazol-3-yl)methyl]acetamide has a molecular weight of 314.81 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,3-dimethyloxolan-2-yl)methyl]-N-[(5-ethyl-1,2-oxazol-3-yl)methyl]acetamide is sourced from PubChem (CID 166423655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).