methyl 4-(2-methylpropyl)-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate

C20H22N2O4S2 — CID 55645535

IUPACmethyl 4-(2-methylpropyl)-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(CC(C)C)csc1NC(=O)Cc1nc(-c2cccs2)oc1C
InChIInChI=1S/C20H22N2O4S2/c1-11(2)8-13-10-28-19(17(13)20(24)25-4)22-16(23)9-14-12(3)26-18(21-14)15-6-5-7-27-15/h5-7,10-11H,8-9H2,1-4H3,(H,22,23)
InChIKeyGJWILXVZOYDDJM-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.94
Rot. Bonds7

About methyl 4-(2-methylpropyl)-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate

methyl 4-(2-methylpropyl)-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 55645535) has the molecular formula C20H22N2O4S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is methyl 4-(2-methylpropyl)-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methylpropyl)-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID55645535
Molecular FormulaC20H22N2O4S2
Molecular Weight418.54 g/mol
Exact Mass418.10
IUPAC Namemethyl 4-(2-methylpropyl)-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(CC(C)C)csc1NC(=O)Cc1nc(-c2cccs2)oc1C
InChIInChI=1S/C20H22N2O4S2/c1-11(2)8-13-10-28-19(17(13)20(24)25-4)22-16(23)9-14-12(3)26-18(21-14)15-6-5-7-27-15/h5-7,10-11H,8-9H2,1-4H3,(H,22,23)
InChIKeyGJWILXVZOYDDJM-UHFFFAOYSA-N
XLogP4.94
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-(2-methylpropyl)-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

methyl 4-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 134046092
ethyl 4-(furan-2-yl)-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate
CID 55512868
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 31765063
N-(2-methyl-6-propan-2-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31759523
N-(4-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31780131
N-(6-methoxy-3-pyridinyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31701834
(2S,3S)-3-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]pentanoic acid
CID 119194033
N-(2,5-dibromophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 39166292
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 24627985
N-(3,4-dichlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31701072
methyl 4-(2-methylpropyl)-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate
CID 55973372
N-(5-chloro-2-methoxyphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31781054

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methylpropyl)-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4-(2-methylpropyl)-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate (CID 55645535) is methyl 4-(2-methylpropyl)-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-(2-methylpropyl)-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4-(2-methylpropyl)-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate is COC(=O)c1c(CC(C)C)csc1NC(=O)Cc1nc(-c2cccs2)oc1C.
What is the InChIKey of methyl 4-(2-methylpropyl)-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is GJWILXVZOYDDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S2/c1-11(2)8-13-10-28-19(17(13)20(24)25-4)22-16(23)9-14-12(3)26-18(21-14)15-6-5-7-27-15/h5-7,10-11H,8-9H2,1-4H3,(H,22,23).
What are the key properties of methyl 4-(2-methylpropyl)-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
methyl 4-(2-methylpropyl)-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 418.54 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methylpropyl)-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 55645535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).