ethyl 2-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate

C15H25N3O4S — CID 3836312

IUPACethyl 2-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate
SMILESCCOC(=O)C(CCSC)NC(=O)c1coc(C(N)C(C)C)n1
InChIInChI=1S/C15H25N3O4S/c1-5-21-15(20)10(6-7-23-4)17-13(19)11-8-22-14(18-11)12(16)9(2)3/h8-10,12H,5-7,16H2,1-4H3,(H,17,19)
InChIKeyPWJPMBGKGHOVKM-UHFFFAOYSA-N
MW343.45 g/mol
LogP1.75
Rot. Bonds9

About ethyl 2-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate

ethyl 2-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate (PubChem CID 3836312) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is ethyl 2-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate
PubChem CID3836312
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Nameethyl 2-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate
SMILESCCOC(=O)C(CCSC)NC(=O)c1coc(C(N)C(C)C)n1
InChIInChI=1S/C15H25N3O4S/c1-5-21-15(20)10(6-7-23-4)17-13(19)11-8-22-14(18-11)12(16)9(2)3/h8-10,12H,5-7,16H2,1-4H3,(H,17,19)
InChIKeyPWJPMBGKGHOVKM-UHFFFAOYSA-N
XLogP1.75
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate with MolForge

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Related Compounds

diethyl 2-[[2-(1-aminopentyl)-1,3-oxazole-4-carbonyl]amino]pentanedioate
CID 3692953
2-(1-amino-2-methylbutyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3847133
2-(1-amino-2-methylpropyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3839797
methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate
CID 85299406
2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide
CID 3836314
ethyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 3782207
2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3788399
2-(1-amino-2-methylpropyl)-N-[1-(4-bromophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3850439
2-(1-amino-3-methylsulfanylpropyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 3813371
ethyl 2-[(4-ethynylbenzoyl)amino]-4-methylsulfanylbutanoate
CID 174743272
2-(1-amino-2-methylpropyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 3847870
ethyl (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate
CID 35526508

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate?
The IUPAC name of ethyl 2-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate (CID 3836312) is ethyl 2-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate.
What is the SMILES notation for ethyl 2-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate?
The canonical SMILES for ethyl 2-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate is CCOC(=O)C(CCSC)NC(=O)c1coc(C(N)C(C)C)n1.
What is the InChIKey of ethyl 2-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate?
The InChIKey is PWJPMBGKGHOVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-5-21-15(20)10(6-7-23-4)17-13(19)11-8-22-14(18-11)12(16)9(2)3/h8-10,12H,5-7,16H2,1-4H3,(H,17,19).
What are the key properties of ethyl 2-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate?
ethyl 2-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate has a molecular weight of 343.45 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate is sourced from PubChem (CID 3836312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).