2-chloro-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide

C16H14ClN3O3S — CID 155529864

IUPAC2-chloro-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCc1cc(CN(C(=O)CCl)c2nc(-c3ccccc3O)cs2)on1
InChIInChI=1S/C16H14ClN3O3S/c1-10-6-11(23-19-10)8-20(15(22)7-17)16-18-13(9-24-16)12-4-2-3-5-14(12)21/h2-6,9,21H,7-8H2,1H3
InChIKeyFCWQIJGQLFKUDK-UHFFFAOYSA-N
MW363.83 g/mol
LogP3.58
Rot. Bonds5

About 2-chloro-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide

2-chloro-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide (PubChem CID 155529864) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is 2-chloro-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
PubChem CID155529864
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC Name2-chloro-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCc1cc(CN(C(=O)CCl)c2nc(-c3ccccc3O)cs2)on1
InChIInChI=1S/C16H14ClN3O3S/c1-10-6-11(23-19-10)8-20(15(22)7-17)16-18-13(9-24-16)12-4-2-3-5-14(12)21/h2-6,9,21H,7-8H2,1H3
InChIKeyFCWQIJGQLFKUDK-UHFFFAOYSA-N
XLogP3.58
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide (CID 155529864) is 2-chloro-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide is Cc1cc(CN(C(=O)CCl)c2nc(-c3ccccc3O)cs2)on1.
What is the InChIKey of 2-chloro-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The InChIKey is FCWQIJGQLFKUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c1-10-6-11(23-19-10)8-20(15(22)7-17)16-18-13(9-24-16)12-4-2-3-5-14(12)21/h2-6,9,21H,7-8H2,1H3.
What are the key properties of 2-chloro-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
2-chloro-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide has a molecular weight of 363.83 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 155529864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).