4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazole

C12H23NO — CID 19844013

IUPAC4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCC1=NC(CC)CO1
InChIInChI=1S/C12H23NO/c1-3-5-6-7-8-9-12-13-11(4-2)10-14-12/h11H,3-10H2,1-2H3
InChIKeyYUAQWCHPMCXOBC-UHFFFAOYSA-N
MW197.32 g/mol
LogP3.55
Rot. Bonds7

About 4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazole

4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazole (PubChem CID 19844013) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazole
PubChem CID19844013
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCC1=NC(CC)CO1
InChIInChI=1S/C12H23NO/c1-3-5-6-7-8-9-12-13-11(4-2)10-14-12/h11H,3-10H2,1-2H3
InChIKeyYUAQWCHPMCXOBC-UHFFFAOYSA-N
XLogP3.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazole (CID 19844013) is 4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazole is CCCCCCCC1=NC(CC)CO1.
What is the InChIKey of 4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazole?
The InChIKey is YUAQWCHPMCXOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-5-6-7-8-9-12-13-11(4-2)10-14-12/h11H,3-10H2,1-2H3.
What are the key properties of 4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazole?
4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazole has a molecular weight of 197.32 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19844013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).