ethyl 2-(cyclopropylamino)-2-methyl-6-(1,3-oxazol-2-ylsulfanyl)hexanoate

C15H24N2O3S — CID 106924832

IUPACethyl 2-(cyclopropylamino)-2-methyl-6-(1,3-oxazol-2-ylsulfanyl)hexanoate
SMILESCCOC(=O)C(C)(CCCCSc1ncco1)NC1CC1
InChIInChI=1S/C15H24N2O3S/c1-3-19-13(18)15(2,17-12-6-7-12)8-4-5-11-21-14-16-9-10-20-14/h9-10,12,17H,3-8,11H2,1-2H3
InChIKeyHBGPLSWNBZHOSN-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.01
Rot. Bonds10

About ethyl 2-(cyclopropylamino)-2-methyl-6-(1,3-oxazol-2-ylsulfanyl)hexanoate

ethyl 2-(cyclopropylamino)-2-methyl-6-(1,3-oxazol-2-ylsulfanyl)hexanoate (PubChem CID 106924832) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-2-methyl-6-(1,3-oxazol-2-ylsulfanyl)hexanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-2-methyl-6-(1,3-oxazol-2-ylsulfanyl)hexanoate
PubChem CID106924832
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Nameethyl 2-(cyclopropylamino)-2-methyl-6-(1,3-oxazol-2-ylsulfanyl)hexanoate
SMILESCCOC(=O)C(C)(CCCCSc1ncco1)NC1CC1
InChIInChI=1S/C15H24N2O3S/c1-3-19-13(18)15(2,17-12-6-7-12)8-4-5-11-21-14-16-9-10-20-14/h9-10,12,17H,3-8,11H2,1-2H3
InChIKeyHBGPLSWNBZHOSN-UHFFFAOYSA-N
XLogP3.01
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(cyclopropylamino)-2-methyl-6-(1,3-oxazol-2-ylsulfanyl)hexanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-2-methyl-6-(1,3-oxazol-2-ylsulfanyl)hexanoate (CID 106924832) is ethyl 2-(cyclopropylamino)-2-methyl-6-(1,3-oxazol-2-ylsulfanyl)hexanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-2-methyl-6-(1,3-oxazol-2-ylsulfanyl)hexanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-2-methyl-6-(1,3-oxazol-2-ylsulfanyl)hexanoate is CCOC(=O)C(C)(CCCCSc1ncco1)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-2-methyl-6-(1,3-oxazol-2-ylsulfanyl)hexanoate?
The InChIKey is HBGPLSWNBZHOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-19-13(18)15(2,17-12-6-7-12)8-4-5-11-21-14-16-9-10-20-14/h9-10,12,17H,3-8,11H2,1-2H3.
What are the key properties of ethyl 2-(cyclopropylamino)-2-methyl-6-(1,3-oxazol-2-ylsulfanyl)hexanoate?
ethyl 2-(cyclopropylamino)-2-methyl-6-(1,3-oxazol-2-ylsulfanyl)hexanoate has a molecular weight of 312.44 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-2-methyl-6-(1,3-oxazol-2-ylsulfanyl)hexanoate is sourced from PubChem (CID 106924832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).