4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid

C14H17N3O3S — CID 60809560

IUPAC4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCc2noc(-c3cccs3)n2)CC1
InChIInChI=1S/C14H17N3O3S/c18-14(19)9-3-5-10(6-4-9)15-8-12-16-13(20-17-12)11-2-1-7-21-11/h1-2,7,9-10,15H,3-6,8H2,(H,18,19)
InChIKeyZOEPTEPFDLMCRW-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.53
Rot. Bonds5

About 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid

4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 60809560) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID60809560
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCc2noc(-c3cccs3)n2)CC1
InChIInChI=1S/C14H17N3O3S/c18-14(19)9-3-5-10(6-4-9)15-8-12-16-13(20-17-12)11-2-1-7-21-11/h1-2,7,9-10,15H,3-6,8H2,(H,18,19)
InChIKeyZOEPTEPFDLMCRW-UHFFFAOYSA-N
XLogP2.53
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dithiepan-6-amine
CID 131907211
3,3,3-trifluoro-2-methyl-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid
CID 79791998
1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 100682947
N-[[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 63796484
2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid
CID 43631483
4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229600
(2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 131930539
2-[cyclopropylmethyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
CID 43656421
N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-sulfonamide
CID 128953261
3-methyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 107072602
N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 74233190
2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide
CID 50964431

Frequently Asked Questions

What is the IUPAC name of 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid (CID 60809560) is 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCc2noc(-c3cccs3)n2)CC1.
What is the InChIKey of 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is ZOEPTEPFDLMCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c18-14(19)9-3-5-10(6-4-9)15-8-12-16-13(20-17-12)11-2-1-7-21-11/h1-2,7,9-10,15H,3-6,8H2,(H,18,19).
What are the key properties of 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid?
4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 307.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60809560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).