methyl 3-[2-methylpropyl-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate

C17H22N2O4S — CID 55892178

IUPACmethyl 3-[2-methylpropyl-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)c1nc(-c2cccs2)oc1C
InChIInChI=1S/C17H22N2O4S/c1-11(2)10-19(8-7-14(20)22-4)17(21)15-12(3)23-16(18-15)13-6-5-9-24-13/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyMCBCOQMARAGVSK-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.37
Rot. Bonds7

About methyl 3-[2-methylpropyl-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate

methyl 3-[2-methylpropyl-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate (PubChem CID 55892178) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is methyl 3-[2-methylpropyl-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methylpropyl-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate
PubChem CID55892178
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Namemethyl 3-[2-methylpropyl-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)c1nc(-c2cccs2)oc1C
InChIInChI=1S/C17H22N2O4S/c1-11(2)10-19(8-7-14(20)22-4)17(21)15-12(3)23-16(18-15)13-6-5-9-24-13/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyMCBCOQMARAGVSK-UHFFFAOYSA-N
XLogP3.37
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-methyl-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propanoate
CID 60965751
methyl 3-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-(2-methylpropyl)amino]propanoate
CID 66376689
3-[2-methylpropyl-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119190564
N-[(5-chloro-2-methoxyphenyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55712564
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 51080994
5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55706816
N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 71909794
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 71938325
1-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanol
CID 69240115
methyl 3-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methylpropyl)amino]propanoate
CID 80625299
methyl 3-[(4-amino-1-methylpyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoate
CID 65354313
N'-(4-ethoxybenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide
CID 55704486

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methylpropyl-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[2-methylpropyl-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate (CID 55892178) is methyl 3-[2-methylpropyl-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-methylpropyl-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-methylpropyl-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate is COC(=O)CCN(CC(C)C)C(=O)c1nc(-c2cccs2)oc1C.
What is the InChIKey of methyl 3-[2-methylpropyl-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate?
The InChIKey is MCBCOQMARAGVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-11(2)10-19(8-7-14(20)22-4)17(21)15-12(3)23-16(18-15)13-6-5-9-24-13/h5-6,9,11H,7-8,10H2,1-4H3.
What are the key properties of methyl 3-[2-methylpropyl-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate?
methyl 3-[2-methylpropyl-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate has a molecular weight of 350.44 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methylpropyl-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 55892178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).