2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide

C14H23ClN2O3 — CID 111485507

IUPAC2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide
SMILESCc1noc(Cl)c1CC(=O)NCC(C)(O)CCC(C)C
InChIInChI=1S/C14H23ClN2O3/c1-9(2)5-6-14(4,19)8-16-12(18)7-11-10(3)17-20-13(11)15/h9,19H,5-8H2,1-4H3,(H,16,18)
InChIKeyIKVYTAVFVSAYEA-UHFFFAOYSA-N
MW302.80 g/mol
LogP2.48
Rot. Bonds7

About 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide

2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide (PubChem CID 111485507) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide
PubChem CID111485507
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Name2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide
SMILESCc1noc(Cl)c1CC(=O)NCC(C)(O)CCC(C)C
InChIInChI=1S/C14H23ClN2O3/c1-9(2)5-6-14(4,19)8-16-12(18)7-11-10(3)17-20-13(11)15/h9,19H,5-8H2,1-4H3,(H,16,18)
InChIKeyIKVYTAVFVSAYEA-UHFFFAOYSA-N
XLogP2.48
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111461266
N-(2,3-dihydroxy-2-methylpropyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 66168831
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 99695697
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111480631
1-(2-hydroxy-2,5-dimethylhexyl)-3-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 111455473
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)propanamide
CID 109380881
4,4,4-trifluoro-N-(2-hydroxy-2,5-dimethylhexyl)butanamide
CID 111485192
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
CID 95625932
N-[2-[(2-hydroxy-2,5-dimethylhexyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 111485177
N-(2-hydroxy-2,5-dimethylhexyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 111485178
N-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide
CID 111485413
methyl 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetate
CID 119027003

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide?
The IUPAC name of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide (CID 111485507) is 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide.
What is the SMILES notation for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide?
The canonical SMILES for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide is Cc1noc(Cl)c1CC(=O)NCC(C)(O)CCC(C)C.
What is the InChIKey of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide?
The InChIKey is IKVYTAVFVSAYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O3/c1-9(2)5-6-14(4,19)8-16-12(18)7-11-10(3)17-20-13(11)15/h9,19H,5-8H2,1-4H3,(H,16,18).
What are the key properties of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide?
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide has a molecular weight of 302.80 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide is sourced from PubChem (CID 111485507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).