ethyl 2-(ethylamino)-4-(1,3-oxazol-2-ylsulfanyl)butanoate

C11H18N2O3S — CID 106925058

IUPACethyl 2-(ethylamino)-4-(1,3-oxazol-2-ylsulfanyl)butanoate
SMILESCCNC(CCSc1ncco1)C(=O)OCC
InChIInChI=1S/C11H18N2O3S/c1-3-12-9(10(14)15-4-2)5-8-17-11-13-6-7-16-11/h6-7,9,12H,3-5,8H2,1-2H3
InChIKeyHAHZLNCEULKXRQ-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.70
Rot. Bonds8

About ethyl 2-(ethylamino)-4-(1,3-oxazol-2-ylsulfanyl)butanoate

ethyl 2-(ethylamino)-4-(1,3-oxazol-2-ylsulfanyl)butanoate (PubChem CID 106925058) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-4-(1,3-oxazol-2-ylsulfanyl)butanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-4-(1,3-oxazol-2-ylsulfanyl)butanoate
PubChem CID106925058
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Nameethyl 2-(ethylamino)-4-(1,3-oxazol-2-ylsulfanyl)butanoate
SMILESCCNC(CCSc1ncco1)C(=O)OCC
InChIInChI=1S/C11H18N2O3S/c1-3-12-9(10(14)15-4-2)5-8-17-11-13-6-7-16-11/h6-7,9,12H,3-5,8H2,1-2H3
InChIKeyHAHZLNCEULKXRQ-UHFFFAOYSA-N
XLogP1.70
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(ethylamino)-4-(1,3-oxazol-2-ylsulfanyl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-oxazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 106925746
1-(1,3-Oxazol-2-ylsulfanyl)propan-2-amine
CID 20242471
2-(3-Aminopropyl)thiooxazole
CID 20550119
1-Methyl-3-[3-(1,3-oxazol-2-ylsulfanyl)propyl]-1-sulfanylurea
CID 57168709
2-(1,3-Oxazol-2-ylsulfanyl)propanamide
CID 106924624
N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 130720594
N-methyl-2-(1,3-oxazol-2-ylsulfanyl)acetamide
CID 131017916
N-methyl-3-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 170073587
N-cyclopropyl-2-(1,3-oxazol-2-ylsulfanyl)acetamide
CID 176361352
2-(Pyrrolidin-2-ylmethylsulfanyl)-1,3-oxazole
CID 84659687
2-(Piperidin-2-ylmethylsulfanyl)-1,3-oxazole
CID 84668397
Methyl 3-(1,3-oxazol-2-ylsulfanyl)propanoate
CID 106920680

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-4-(1,3-oxazol-2-ylsulfanyl)butanoate?
The IUPAC name of ethyl 2-(ethylamino)-4-(1,3-oxazol-2-ylsulfanyl)butanoate (CID 106925058) is ethyl 2-(ethylamino)-4-(1,3-oxazol-2-ylsulfanyl)butanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-4-(1,3-oxazol-2-ylsulfanyl)butanoate?
The canonical SMILES for ethyl 2-(ethylamino)-4-(1,3-oxazol-2-ylsulfanyl)butanoate is CCNC(CCSc1ncco1)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-4-(1,3-oxazol-2-ylsulfanyl)butanoate?
The InChIKey is HAHZLNCEULKXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-12-9(10(14)15-4-2)5-8-17-11-13-6-7-16-11/h6-7,9,12H,3-5,8H2,1-2H3.
What are the key properties of ethyl 2-(ethylamino)-4-(1,3-oxazol-2-ylsulfanyl)butanoate?
ethyl 2-(ethylamino)-4-(1,3-oxazol-2-ylsulfanyl)butanoate has a molecular weight of 258.34 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-4-(1,3-oxazol-2-ylsulfanyl)butanoate is sourced from PubChem (CID 106925058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).