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

C12H19ClN2O3 — CID 111461266

IUPAC2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
SMILESCc1noc(Cl)c1CC(=O)NCCC(O)C(C)C
InChIInChI=1S/C12H19ClN2O3/c1-7(2)10(16)4-5-14-11(17)6-9-8(3)15-18-12(9)13/h7,10,16H,4-6H2,1-3H3,(H,14,17)
InChIKeyJJTFFMDQSKNDLZ-UHFFFAOYSA-N
MW274.75 g/mol
LogP1.70
Rot. Bonds6

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

2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-4-methylpentyl)acetamide (PubChem CID 111461266) has the molecular formula C12H19ClN2O3 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
PubChem CID111461266
Molecular FormulaC12H19ClN2O3
Molecular Weight274.75 g/mol
Exact Mass274.11
IUPAC Name2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
SMILESCc1noc(Cl)c1CC(=O)NCCC(O)C(C)C
InChIInChI=1S/C12H19ClN2O3/c1-7(2)10(16)4-5-14-11(17)6-9-8(3)15-18-12(9)13/h7,10,16H,4-6H2,1-3H3,(H,14,17)
InChIKeyJJTFFMDQSKNDLZ-UHFFFAOYSA-N
XLogP1.70
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-4-methylpentyl)acetamide?
The IUPAC name of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-4-methylpentyl)acetamide (CID 111461266) is 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-4-methylpentyl)acetamide.
What is the SMILES notation for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-4-methylpentyl)acetamide?
The canonical SMILES for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-4-methylpentyl)acetamide is Cc1noc(Cl)c1CC(=O)NCCC(O)C(C)C.
What is the InChIKey of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-4-methylpentyl)acetamide?
The InChIKey is JJTFFMDQSKNDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3/c1-7(2)10(16)4-5-14-11(17)6-9-8(3)15-18-12(9)13/h7,10,16H,4-6H2,1-3H3,(H,14,17).
What are the key properties of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-4-methylpentyl)acetamide?
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-4-methylpentyl)acetamide has a molecular weight of 274.75 g/mol, XLogP of 1.70, 6 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-(3-hydroxy-4-methylpentyl)acetamide is sourced from PubChem (CID 111461266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).