ethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole

C12H23NO3 — CID 142390510

IUPACethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole
SMILESCC.COCCCOCCCc1ccon1
InChIInChI=1S/C10H17NO3.C2H6/c1-12-6-3-8-13-7-2-4-10-5-9-14-11-10;1-2/h5,9H,2-4,6-8H2,1H3;1-2H3
InChIKeySYSPBZWQSXMPGW-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.69
Rot. Bonds8

About ethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole

ethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole (PubChem CID 142390510) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole.

Molecular Properties

Compound Nameethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole
PubChem CID142390510
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole
SMILESCC.COCCCOCCCc1ccon1
InChIInChI=1S/C10H17NO3.C2H6/c1-12-6-3-8-13-7-2-4-10-5-9-14-11-10;1-2/h5,9H,2-4,6-8H2,1H3;1-2H3
InChIKeySYSPBZWQSXMPGW-UHFFFAOYSA-N
XLogP2.69
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.69
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

ethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole
CID 142597175
3-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazole
CID 134579597
ethane;3-[2-(2-methoxyethoxy)ethoxymethyl]-1,2-oxazole
CID 142385870
ethane;3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole
CID 153330525
3-(2-ethoxyethyl)-1,2-oxazole
CID 67275455
3-(3-phenoxypropyl)-1,2-oxazole;propane
CID 142390711
3-[2-[5-(4-methylphenoxy)pentoxy]ethyl]-1,2-oxazole
CID 139356742
ethane;3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole
CID 142385867
ethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole
CID 142409422
3-(3-fluoropropyl)-1,2-oxazole
CID 174850907
2-methoxy-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 62544782
4-(1,2-oxazol-3-yl)butan-1-amine
CID 22024725

Frequently Asked Questions

What is the IUPAC name of ethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole?
The IUPAC name of ethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole (CID 142390510) is ethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole.
What is the SMILES notation for ethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole?
The canonical SMILES for ethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole is CC.COCCCOCCCc1ccon1.
What is the InChIKey of ethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole?
The InChIKey is SYSPBZWQSXMPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3.C2H6/c1-12-6-3-8-13-7-2-4-10-5-9-14-11-10;1-2/h5,9H,2-4,6-8H2,1H3;1-2H3.
What are the key properties of ethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole?
ethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole has a molecular weight of 229.32 g/mol, XLogP of 2.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole is sourced from PubChem (CID 142390510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).