ethyl 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate

C14H24N2O3S — CID 106924910

IUPACethyl 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate
SMILESCCOC(=O)C(C)(CCCSc1ncco1)NC(C)C
InChIInChI=1S/C14H24N2O3S/c1-5-18-12(17)14(4,16-11(2)3)7-6-10-20-13-15-8-9-19-13/h8-9,11,16H,5-7,10H2,1-4H3
InChIKeyFJSVMJLHPXGUHZ-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.87
Rot. Bonds9

About ethyl 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate

ethyl 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate (PubChem CID 106924910) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is ethyl 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate
PubChem CID106924910
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Nameethyl 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate
SMILESCCOC(=O)C(C)(CCCSc1ncco1)NC(C)C
InChIInChI=1S/C14H24N2O3S/c1-5-18-12(17)14(4,16-11(2)3)7-6-10-20-13-15-8-9-19-13/h8-9,11,16H,5-7,10H2,1-4H3
InChIKeyFJSVMJLHPXGUHZ-UHFFFAOYSA-N
XLogP2.87
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.87
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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Related Compounds

ethyl 2-(cyclopropylamino)-2-methyl-6-(1,3-oxazol-2-ylsulfanyl)hexanoate
CID 106924832
ethyl 2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanoate
CID 62253673
ethyl 2-methyl-2-(methylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate
CID 106924911
ethyl 5-(3-hydroxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 66129175
ethyl 2-methyl-5-(3-methylbutan-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate
CID 107755733
ethyl 2-(ethylamino)-4-(1,3-oxazol-2-ylsulfanyl)butanoate
CID 106925058
2-(cyclopropylamino)-2-methyl-6-(1,3-oxazol-2-ylsulfanyl)hexanoic acid
CID 106924995
ethyl 2-methyl-2-(methylamino)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexanoate
CID 62254728
2-methyl-4-(1,3-oxazol-2-ylsulfanyl)-2-(propylamino)butanamide
CID 106924972
2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)hexanoic acid
CID 106925284
methyl 2-methyl-2-(propan-2-ylamino)-6-pyrimidin-4-ylsulfanylhexanoate
CID 63698376
ethyl 2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanoate
CID 115383500

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate?
The IUPAC name of ethyl 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate (CID 106924910) is ethyl 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate.
What is the SMILES notation for ethyl 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate?
The canonical SMILES for ethyl 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate is CCOC(=O)C(C)(CCCSc1ncco1)NC(C)C.
What is the InChIKey of ethyl 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate?
The InChIKey is FJSVMJLHPXGUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-18-12(17)14(4,16-11(2)3)7-6-10-20-13-15-8-9-19-13/h8-9,11,16H,5-7,10H2,1-4H3.
What are the key properties of ethyl 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate?
ethyl 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate has a molecular weight of 300.42 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-(1,3-oxazol-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 106924910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).