5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-1,2-oxazole-3-carboxamide

C12H18N2O3 — CID 26413631

IUPAC5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)=CCC[C@](C)(O)c1cc(C(N)=O)no1
InChIInChI=1S/C12H18N2O3/c1-8(2)5-4-6-12(3,16)10-7-9(11(13)15)14-17-10/h5,7,16H,4,6H2,1-3H3,(H2,13,15)/t12-/m0/s1
InChIKeyXQPJDLQAIJUQAS-LBPRGKRZSA-N
MW238.29 g/mol
LogP1.73
Rot. Bonds5

About 5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-1,2-oxazole-3-carboxamide

5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 26413631) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID26413631
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)=CCC[C@](C)(O)c1cc(C(N)=O)no1
InChIInChI=1S/C12H18N2O3/c1-8(2)5-4-6-12(3,16)10-7-9(11(13)15)14-17-10/h5,7,16H,4,6H2,1-3H3,(H2,13,15)/t12-/m0/s1
InChIKeyXQPJDLQAIJUQAS-LBPRGKRZSA-N
XLogP1.73
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-1,2-oxazole-3-carboxamide (CID 26413631) is 5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-1,2-oxazole-3-carboxamide is CC(C)=CCC[C@](C)(O)c1cc(C(N)=O)no1.
What is the InChIKey of 5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is XQPJDLQAIJUQAS-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(2)5-4-6-12(3,16)10-7-9(11(13)15)14-17-10/h5,7,16H,4,6H2,1-3H3,(H2,13,15)/t12-/m0/s1.
What are the key properties of 5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-1,2-oxazole-3-carboxamide?
5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 26413631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).