7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol

C11H19NO2 — CID 19894069

IUPAC7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol
SMILESCc1cc(CCCCCCCO)on1
InChIInChI=1S/C11H19NO2/c1-10-9-11(14-12-10)7-5-3-2-4-6-8-13/h9,13H,2-8H2,1H3
InChIKeyRBXWAAYMOMQZGU-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.47
Rot. Bonds7

About 7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol

7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol (PubChem CID 19894069) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol.

Molecular Properties

Compound Name7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol
PubChem CID19894069
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol
SMILESCc1cc(CCCCCCCO)on1
InChIInChI=1S/C11H19NO2/c1-10-9-11(14-12-10)7-5-3-2-4-6-8-13/h9,13H,2-8H2,1H3
InChIKeyRBXWAAYMOMQZGU-UHFFFAOYSA-N
XLogP2.47
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-heptyl-3-methyl-1,2-oxazole
CID 57223532
N-methyl-3-(3-methyl-1,2-oxazol-5-yl)propan-1-amine
CID 177319850
N-(2-hydroxyethyl)-4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxamide
CID 54531037
lithium 5-[5-(2,6-dichlorobenzene-4-id-1-yl)oxypentyl]-3-methyl-1,2-oxazole
CID 10313912
2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoic acid
CID 150380057
ethyl 4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoate
CID 5271188
3-methyl-5-(3-piperazin-1-ylpropyl)-1,2-oxazole
CID 141146127
2-(3-heptyl-1,2-oxazol-5-yl)ethanol
CID 65017895
2-[butyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]ethanol
CID 60968327
methyl 4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxylate
CID 21271267
trimethylsilyl 3-(3-methyl-1,2-oxazol-5-yl)propanoate
CID 71327836
1,1,3,3-tetramethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine;hydroiodide
CID 120973828

Frequently Asked Questions

What is the IUPAC name of 7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol?
The IUPAC name of 7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol (CID 19894069) is 7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol.
What is the SMILES notation for 7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol?
The canonical SMILES for 7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol is Cc1cc(CCCCCCCO)on1.
What is the InChIKey of 7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol?
The InChIKey is RBXWAAYMOMQZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-10-9-11(14-12-10)7-5-3-2-4-6-8-13/h9,13H,2-8H2,1H3.
What are the key properties of 7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol?
7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol is sourced from PubChem (CID 19894069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).