ethyl 2-pentyl-5-(pentylamino)-1,3-oxazole-4-carboxylate

C16H28N2O3 — CID 68572624

IUPACethyl 2-pentyl-5-(pentylamino)-1,3-oxazole-4-carboxylate
SMILESCCCCCNc1oc(CCCCC)nc1C(=O)OCC
InChIInChI=1S/C16H28N2O3/c1-4-7-9-11-13-18-14(16(19)20-6-3)15(21-13)17-12-10-8-5-2/h17H,4-12H2,1-3H3
InChIKeyJAFDBFUHHIKPTI-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.19
Rot. Bonds11

About ethyl 2-pentyl-5-(pentylamino)-1,3-oxazole-4-carboxylate

ethyl 2-pentyl-5-(pentylamino)-1,3-oxazole-4-carboxylate (PubChem CID 68572624) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is ethyl 2-pentyl-5-(pentylamino)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-pentyl-5-(pentylamino)-1,3-oxazole-4-carboxylate
PubChem CID68572624
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nameethyl 2-pentyl-5-(pentylamino)-1,3-oxazole-4-carboxylate
SMILESCCCCCNc1oc(CCCCC)nc1C(=O)OCC
InChIInChI=1S/C16H28N2O3/c1-4-7-9-11-13-18-14(16(19)20-6-3)15(21-13)17-12-10-8-5-2/h17H,4-12H2,1-3H3
InChIKeyJAFDBFUHHIKPTI-UHFFFAOYSA-N
XLogP4.19
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 ethyl 2-pentyl-5-(pentylamino)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-pentyl-5-(pentylamino)-1,3-oxazole-4-carboxylate (CID 68572624) is ethyl 2-pentyl-5-(pentylamino)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-pentyl-5-(pentylamino)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-pentyl-5-(pentylamino)-1,3-oxazole-4-carboxylate is CCCCCNc1oc(CCCCC)nc1C(=O)OCC.
What is the InChIKey of ethyl 2-pentyl-5-(pentylamino)-1,3-oxazole-4-carboxylate?
The InChIKey is JAFDBFUHHIKPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-7-9-11-13-18-14(16(19)20-6-3)15(21-13)17-12-10-8-5-2/h17H,4-12H2,1-3H3.
What are the key properties of ethyl 2-pentyl-5-(pentylamino)-1,3-oxazole-4-carboxylate?
ethyl 2-pentyl-5-(pentylamino)-1,3-oxazole-4-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 4.19, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pentyl-5-(pentylamino)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 68572624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).