3-ethyl-N-(2-hydroxy-2,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-carboxamide

C14H24N2O3 — CID 66179726

IUPAC3-ethyl-N-(2-hydroxy-2,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C14H24N2O3/c1-6-11-12(10(4)19-16-11)13(17)15-8-14(5,18)7-9(2)3/h9,18H,6-8H2,1-5H3,(H,15,17)
InChIKeyYGEOWLAATRXDBH-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.07
Rot. Bonds6

About 3-ethyl-N-(2-hydroxy-2,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-carboxamide

3-ethyl-N-(2-hydroxy-2,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 66179726) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-ethyl-N-(2-hydroxy-2,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-hydroxy-2,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID66179726
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-ethyl-N-(2-hydroxy-2,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C14H24N2O3/c1-6-11-12(10(4)19-16-11)13(17)15-8-14(5,18)7-9(2)3/h9,18H,6-8H2,1-5H3,(H,15,17)
InChIKeyYGEOWLAATRXDBH-UHFFFAOYSA-N
XLogP2.07
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-hydroxy-2,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-(2-hydroxy-2,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 66179726) is 3-ethyl-N-(2-hydroxy-2,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-hydroxy-2,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-hydroxy-2,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NCC(C)(O)CC(C)C.
What is the InChIKey of 3-ethyl-N-(2-hydroxy-2,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is YGEOWLAATRXDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-6-11-12(10(4)19-16-11)13(17)15-8-14(5,18)7-9(2)3/h9,18H,6-8H2,1-5H3,(H,15,17).
What are the key properties of 3-ethyl-N-(2-hydroxy-2,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-ethyl-N-(2-hydroxy-2,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-hydroxy-2,4-dimethylpentyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 66179726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).