methyl 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanoate

C13H20N2O3S — CID 106925447

IUPACmethyl 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanoate
SMILESCOC(=O)C(CCSc1nc(C)c(C)o1)NC1CC1
InChIInChI=1S/C13H20N2O3S/c1-8-9(2)18-13(14-8)19-7-6-11(12(16)17-3)15-10-4-5-10/h10-11,15H,4-7H2,1-3H3
InChIKeyULEWGRCEIIVBFB-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.07
Rot. Bonds7

About methyl 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanoate

methyl 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanoate (PubChem CID 106925447) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanoate
PubChem CID106925447
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Namemethyl 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanoate
SMILESCOC(=O)C(CCSc1nc(C)c(C)o1)NC1CC1
InChIInChI=1S/C13H20N2O3S/c1-8-9(2)18-13(14-8)19-7-6-11(12(16)17-3)15-10-4-5-10/h10-11,15H,4-7H2,1-3H3
InChIKeyULEWGRCEIIVBFB-UHFFFAOYSA-N
XLogP2.07
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanoate with MolForge

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Related Compounds

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 47025888
2,2,2-trifluoroethyl N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]carbamate
CID 56826249
N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide
CID 71917028
N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-2,2,2-trifluoroethanamine
CID 106925967
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 113893957
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide
CID 71684783
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]ethylcarbamic acid
CID 54378791
N-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 39922987
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylacetamide
CID 40129274
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 40129276
N-cyclopropyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 41519437
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide
CID 42896222

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanoate (CID 106925447) is methyl 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanoate is COC(=O)C(CCSc1nc(C)c(C)o1)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanoate?
The InChIKey is ULEWGRCEIIVBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-8-9(2)18-13(14-8)19-7-6-11(12(16)17-3)15-10-4-5-10/h10-11,15H,4-7H2,1-3H3.
What are the key properties of methyl 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanoate?
methyl 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanoate has a molecular weight of 284.38 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanoate is sourced from PubChem (CID 106925447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).