N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide

C14H14Cl2N2O3 — CID 97069382

IUPACN-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)no1
InChIInChI=1S/C14H14Cl2N2O3/c1-8-5-9(18-21-8)6-13(20)17-7-12(19)14-10(15)3-2-4-11(14)16/h2-5,12,19H,6-7H2,1H3,(H,17,20)/t12-/m1/s1
InChIKeyBZBJPYPGGYGGPJ-GFCCVEGCSA-N
MW329.18 g/mol
LogP2.68
Rot. Bonds5

About N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide

N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 97069382) has the molecular formula C14H14Cl2N2O3 and a molecular weight of 329.18 g/mol. Its IUPAC name is N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID97069382
Molecular FormulaC14H14Cl2N2O3
Molecular Weight329.18 g/mol
Exact Mass328.04
IUPAC NameN-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)no1
InChIInChI=1S/C14H14Cl2N2O3/c1-8-5-9(18-21-8)6-13(20)17-7-12(19)14-10(15)3-2-4-11(14)16/h2-5,12,19H,6-7H2,1H3,(H,17,20)/t12-/m1/s1
InChIKeyBZBJPYPGGYGGPJ-GFCCVEGCSA-N
XLogP2.68
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110622054
N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 97222976
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 71917271
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110621185
methyl 2-(2-chlorophenyl)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]acetate
CID 75375148
2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 110622231
N-(4-chlorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 68647812
2-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)acetamide
CID 110417275
2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110410763
2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 110622459
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide
CID 111912027
N'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide
CID 71874340

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 97069382) is N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(CC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)no1.
What is the InChIKey of N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is BZBJPYPGGYGGPJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3/c1-8-5-9(18-21-8)6-13(20)17-7-12(19)14-10(15)3-2-4-11(14)16/h2-5,12,19H,6-7H2,1H3,(H,17,20)/t12-/m1/s1.
What are the key properties of N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 329.18 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 97069382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).