2-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid

C18H22N2O4S — CID 120545472

IUPAC2-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1oc(-c2cccs2)nc1CC(=O)NC1(C)CCCCC1C(=O)O
InChIInChI=1S/C18H22N2O4S/c1-11-13(19-16(24-11)14-7-5-9-25-14)10-15(21)20-18(2)8-4-3-6-12(18)17(22)23/h5,7,9,12H,3-4,6,8,10H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyQSXOMGKSURALGW-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.40
Rot. Bonds5

About 2-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid

2-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120545472) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID120545472
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1oc(-c2cccs2)nc1CC(=O)NC1(C)CCCCC1C(=O)O
InChIInChI=1S/C18H22N2O4S/c1-11-13(19-16(24-11)14-7-5-9-25-14)10-15(21)20-18(2)8-4-3-6-12(18)17(22)23/h5,7,9,12H,3-4,6,8,10H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyQSXOMGKSURALGW-UHFFFAOYSA-N
XLogP3.40
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

2-[1-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
CID 119217586
4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229600
N-(4-hydroxycyclohexyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 75361365
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 31046939
6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136532
N-[3-(aminomethyl)pentan-3-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119571454
N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 119384938
N-(2-amino-1-cyclopropylethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119616911
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 31759283
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 46542401
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 24627985
benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate
CID 31046909

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 120545472) is 2-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid is Cc1oc(-c2cccs2)nc1CC(=O)NC1(C)CCCCC1C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is QSXOMGKSURALGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-11-13(19-16(24-11)14-7-5-9-25-14)10-15(21)20-18(2)8-4-3-6-12(18)17(22)23/h5,7,9,12H,3-4,6,8,10H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
2-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 362.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120545472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).