5-(3-hydroxypentan-3-yl)-1,2-oxazole-3-carboxamide

C9H14N2O3 — CID 69421370

IUPAC5-(3-hydroxypentan-3-yl)-1,2-oxazole-3-carboxamide
SMILESCCC(O)(CC)c1cc(C(N)=O)no1
InChIInChI=1S/C9H14N2O3/c1-3-9(13,4-2)7-5-6(8(10)12)11-14-7/h5,13H,3-4H2,1-2H3,(H2,10,12)
InChIKeyPVKSGETVZFROFR-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.78
Rot. Bonds4

About 5-(3-hydroxypentan-3-yl)-1,2-oxazole-3-carboxamide

5-(3-hydroxypentan-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 69421370) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-(3-hydroxypentan-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxypentan-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID69421370
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name5-(3-hydroxypentan-3-yl)-1,2-oxazole-3-carboxamide
SMILESCCC(O)(CC)c1cc(C(N)=O)no1
InChIInChI=1S/C9H14N2O3/c1-3-9(13,4-2)7-5-6(8(10)12)11-14-7/h5,13H,3-4H2,1-2H3,(H2,10,12)
InChIKeyPVKSGETVZFROFR-UHFFFAOYSA-N
XLogP0.78
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypentan-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-hydroxypentan-3-yl)-1,2-oxazole-3-carboxamide (CID 69421370) is 5-(3-hydroxypentan-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxypentan-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-hydroxypentan-3-yl)-1,2-oxazole-3-carboxamide is CCC(O)(CC)c1cc(C(N)=O)no1.
What is the InChIKey of 5-(3-hydroxypentan-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is PVKSGETVZFROFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-9(13,4-2)7-5-6(8(10)12)11-14-7/h5,13H,3-4H2,1-2H3,(H2,10,12).
What are the key properties of 5-(3-hydroxypentan-3-yl)-1,2-oxazole-3-carboxamide?
5-(3-hydroxypentan-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 198.22 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypentan-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 69421370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).