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

C17H20N2O4S — CID 119229600

IUPAC4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1oc(-c2cccs2)nc1CC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C17H20N2O4S/c1-10-13(19-16(23-10)14-3-2-8-24-14)9-15(20)18-12-6-4-11(5-7-12)17(21)22/h2-3,8,11-12H,4-7,9H2,1H3,(H,18,20)(H,21,22)
InChIKeySFCNVDVUBXZABJ-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.01
Rot. Bonds5

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

4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119229600) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119229600
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1oc(-c2cccs2)nc1CC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C17H20N2O4S/c1-10-13(19-16(23-10)14-3-2-8-24-14)9-15(20)18-12-6-4-11(5-7-12)17(21)22/h2-3,8,11-12H,4-7,9H2,1H3,(H,18,20)(H,21,22)
InChIKeySFCNVDVUBXZABJ-UHFFFAOYSA-N
XLogP3.01
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[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

N-(4-hydroxycyclohexyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 75361365
4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229706
2-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120545472
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-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 46542401
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 31046939
2-[1-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
CID 119217586
N-(4-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31780131
N-(2-methyl-1-phenylpropyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627992
N-[(5-chlorothiophen-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 32832937
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

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 119229600) is 4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid is Cc1oc(-c2cccs2)nc1CC(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is SFCNVDVUBXZABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-10-13(19-16(23-10)14-3-2-8-24-14)9-15(20)18-12-6-4-11(5-7-12)17(21)22/h2-3,8,11-12H,4-7,9H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 348.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).