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

C16H18N2O4S — CID 119217586

IUPAC2-[1-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
SMILESCc1oc(-c2cccs2)nc1CC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C16H18N2O4S/c1-10-11(17-15(22-10)12-4-2-7-23-12)8-13(19)18-16(5-3-6-16)9-14(20)21/h2,4,7H,3,5-6,8-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyFKZPXRNNFOGELF-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.77
Rot. Bonds6

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

2-[1-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclobutyl]acetic acid (PubChem CID 119217586) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[1-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
PubChem CID119217586
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-[1-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
SMILESCc1oc(-c2cccs2)nc1CC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C16H18N2O4S/c1-10-11(17-15(22-10)12-4-2-7-23-12)8-13(19)18-16(5-3-6-16)9-14(20)21/h2,4,7H,3,5-6,8-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyFKZPXRNNFOGELF-UHFFFAOYSA-N
XLogP2.77
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120545472
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 31046939
N-(4-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31780131
4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229600
N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 119384938
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-(2-phenoxyethyl)acetamide
CID 32934772
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 46542401
N-(3,4-dichlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31701072
N-[3-(aminomethyl)pentan-3-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119571454
N-(3-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31779101
N-(2-methyl-1-phenylpropyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627992

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclobutyl]acetic acid (CID 119217586) is 2-[1-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclobutyl]acetic acid is Cc1oc(-c2cccs2)nc1CC(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is FKZPXRNNFOGELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-10-11(17-15(22-10)12-4-2-7-23-12)8-13(19)18-16(5-3-6-16)9-14(20)21/h2,4,7H,3,5-6,8-9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[1-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 334.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119217586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).