5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl acetate

C10H17NO3 — CID 102249128

IUPAC5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl acetate
SMILESCC(=O)OCCCCCC1=NCCO1
InChIInChI=1S/C10H17NO3/c1-9(12)13-7-4-2-3-5-10-11-6-8-14-10/h2-8H2,1H3
InChIKeyUQMZVCXQMBUZTJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.54
Rot. Bonds6

About 5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl acetate

5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl acetate (PubChem CID 102249128) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl acetate.

Molecular Properties

Compound Name5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl acetate
PubChem CID102249128
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl acetate
SMILESCC(=O)OCCCCCC1=NCCO1
InChIInChI=1S/C10H17NO3/c1-9(12)13-7-4-2-3-5-10-11-6-8-14-10/h2-8H2,1H3
InChIKeyUQMZVCXQMBUZTJ-UHFFFAOYSA-N
XLogP1.54
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl 2-bromo-2-methylpropanoate
CID 158341290
2-nonadecyl-4,5-dihydro-1,3-oxazole
CID 22999535
2-(4,5-dihydro-1,3-oxazol-2-yl)ethyl 2-methylprop-2-enoate
CID 22678993
11-acetyloxyundecyl acetate
CID 87784419
2-docosyl-5,6-dihydro-4H-1,3-oxazine
CID 169221785
14-(4-methyl-2,5-dioxofuran-3-yl)tetradecyl acetate
CID 170990166
6-(1,3-dioxan-2-yl)hexyl acetate
CID 13162578
4-[3-(acetyloxymethyl)cyclopropen-1-yl]butyl acetate
CID 101147163
5-[4-(2-ethyl-1,3-dioxolan-2-yl)phenyl]pentyl acetate
CID 23583379
11-sulfanylundecyl acetate
CID 101045220
alumane;hexyl acetate
CID 174832794
8-sulfanyloctyl acetate
CID 19068319

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl acetate?
The IUPAC name of 5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl acetate (CID 102249128) is 5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl acetate.
What is the SMILES notation for 5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl acetate?
The canonical SMILES for 5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl acetate is CC(=O)OCCCCCC1=NCCO1.
What is the InChIKey of 5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl acetate?
The InChIKey is UQMZVCXQMBUZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-9(12)13-7-4-2-3-5-10-11-6-8-14-10/h2-8H2,1H3.
What are the key properties of 5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl acetate?
5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl acetate has a molecular weight of 199.25 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl acetate is sourced from PubChem (CID 102249128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).