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

C15H17ClN2O3 — CID 99830081

IUPAC2-(3-chloro-2-ethoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCCOc1c(Cl)cccc1CC(=O)NCc1cc(C)no1
InChIInChI=1S/C15H17ClN2O3/c1-3-20-15-11(5-4-6-13(15)16)8-14(19)17-9-12-7-10(2)18-21-12/h4-7H,3,8-9H2,1-2H3,(H,17,19)
InChIKeyBXUIRSPHHAQMIJ-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.89
Rot. Bonds6

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

2-(3-chloro-2-ethoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide (PubChem CID 99830081) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-(3-chloro-2-ethoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-ethoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
PubChem CID99830081
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name2-(3-chloro-2-ethoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCCOc1c(Cl)cccc1CC(=O)NCc1cc(C)no1
InChIInChI=1S/C15H17ClN2O3/c1-3-20-15-11(5-4-6-13(15)16)8-14(19)17-9-12-7-10(2)18-21-12/h4-7H,3,8-9H2,1-2H3,(H,17,19)
InChIKeyBXUIRSPHHAQMIJ-UHFFFAOYSA-N
XLogP2.89
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-ethoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(3-chloro-2-ethoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide (CID 99830081) is 2-(3-chloro-2-ethoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-chloro-2-ethoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(3-chloro-2-ethoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide is CCOc1c(Cl)cccc1CC(=O)NCc1cc(C)no1.
What is the InChIKey of 2-(3-chloro-2-ethoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The InChIKey is BXUIRSPHHAQMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-3-20-15-11(5-4-6-13(15)16)8-14(19)17-9-12-7-10(2)18-21-12/h4-7H,3,8-9H2,1-2H3,(H,17,19).
What are the key properties of 2-(3-chloro-2-ethoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
2-(3-chloro-2-ethoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide has a molecular weight of 308.77 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-ethoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 99830081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).