7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylideneheptanoic acid

C11H17NO3 — CID 68747075

IUPAC7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylideneheptanoic acid
SMILESC=C(CCCCCC1=NCCO1)C(=O)O
InChIInChI=1S/C11H17NO3/c1-9(11(13)14)5-3-2-4-6-10-12-7-8-15-10/h1-8H2,(H,13,14)
InChIKeyAUFHOINZAIJXRC-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.01
Rot. Bonds7

About 7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylideneheptanoic acid

7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylideneheptanoic acid (PubChem CID 68747075) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylideneheptanoic acid.

Molecular Properties

Compound Name7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylideneheptanoic acid
PubChem CID68747075
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylideneheptanoic acid
SMILESC=C(CCCCCC1=NCCO1)C(=O)O
InChIInChI=1S/C11H17NO3/c1-9(11(13)14)5-3-2-4-6-10-12-7-8-15-10/h1-8H2,(H,13,14)
InChIKeyAUFHOINZAIJXRC-UHFFFAOYSA-N
XLogP2.01
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,11-dimethylidenedodecanedioic acid
CID 20542368
5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl 2-bromo-2-methylpropanoate
CID 158341290
2-methylidene-12-phenyldodecanoic acid
CID 54253232
2-methylidenedecanoic acid;2-methylideneundecanoic acid
CID 87527808
2-tetracosa-9,11-diynyl-4,5-dihydro-1,3-oxazole
CID 102460926
9-(4-chlorophenyl)-2-methylidenenonanoic acid
CID 20544233
2-methylidene-7-(oxiran-2-yl)heptanoic acid
CID 57153387
2-decyl-5,6-dihydro-4H-1,3-oxazine
CID 169221818
2-tetradecyl-5,6-dihydro-4H-1,3-oxazine
CID 169221826
2-methylidene-7-oxooctanoic acid
CID 87625234
14-(diethylamino)-2-methylidenetetradecanoic acid
CID 54053311
2-methylidene-6-[4-(N-phenylanilino)phenyl]hexanoic acid
CID 18766696

Frequently Asked Questions

What is the IUPAC name of 7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylideneheptanoic acid?
The IUPAC name of 7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylideneheptanoic acid (CID 68747075) is 7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylideneheptanoic acid.
What is the SMILES notation for 7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylideneheptanoic acid?
The canonical SMILES for 7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylideneheptanoic acid is C=C(CCCCCC1=NCCO1)C(=O)O.
What is the InChIKey of 7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylideneheptanoic acid?
The InChIKey is AUFHOINZAIJXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-9(11(13)14)5-3-2-4-6-10-12-7-8-15-10/h1-8H2,(H,13,14).
What are the key properties of 7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylideneheptanoic acid?
7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylideneheptanoic acid has a molecular weight of 211.26 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylideneheptanoic acid is sourced from PubChem (CID 68747075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).