3-butan-2-yl-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide

C14H24N2O3 — CID 110002337

IUPAC3-butan-2-yl-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide
SMILESCCC(C)c1cc(C(=O)NC(C)(CC)CCO)on1
InChIInChI=1S/C14H24N2O3/c1-5-10(3)11-9-12(19-16-11)13(18)15-14(4,6-2)7-8-17/h9-10,17H,5-8H2,1-4H3,(H,15,18)
InChIKeyIHYPOKZKPVSPFC-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.47
Rot. Bonds7

About 3-butan-2-yl-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide

3-butan-2-yl-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide (PubChem CID 110002337) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-butan-2-yl-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-butan-2-yl-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide
PubChem CID110002337
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-butan-2-yl-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide
SMILESCCC(C)c1cc(C(=O)NC(C)(CC)CCO)on1
InChIInChI=1S/C14H24N2O3/c1-5-10(3)11-9-12(19-16-11)13(18)15-14(4,6-2)7-8-17/h9-10,17H,5-8H2,1-4H3,(H,15,18)
InChIKeyIHYPOKZKPVSPFC-UHFFFAOYSA-N
XLogP2.47
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-butan-2-yl-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide (CID 110002337) is 3-butan-2-yl-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-butan-2-yl-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-butan-2-yl-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide is CCC(C)c1cc(C(=O)NC(C)(CC)CCO)on1.
What is the InChIKey of 3-butan-2-yl-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is IHYPOKZKPVSPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-5-10(3)11-9-12(19-16-11)13(18)15-14(4,6-2)7-8-17/h9-10,17H,5-8H2,1-4H3,(H,15,18).
What are the key properties of 3-butan-2-yl-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide?
3-butan-2-yl-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110002337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).