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

C17H21N3O4S — CID 120539581

IUPAC1-[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)CCc1nc(-c2cccs2)no1)C1(C(=O)O)CCCCC1
InChIInChI=1S/C17H21N3O4S/c1-20(17(16(22)23)9-3-2-4-10-17)14(21)8-7-13-18-15(19-24-13)12-6-5-11-25-12/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)
InChIKeyGNSCNPQIVZURON-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.98
Rot. Bonds6

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

1-[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120539581) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID120539581
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name1-[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)CCc1nc(-c2cccs2)no1)C1(C(=O)O)CCCCC1
InChIInChI=1S/C17H21N3O4S/c1-20(17(16(22)23)9-3-2-4-10-17)14(21)8-7-13-18-15(19-24-13)12-6-5-11-25-12/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)
InChIKeyGNSCNPQIVZURON-UHFFFAOYSA-N
XLogP2.98
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-methoxy-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134012548
1-[methyl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120539428
N-methyl-N-(2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134058828
2-[propan-2-yl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
CID 119198537
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 110330608
N-methyl-N-(thiophen-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18117389
N-(furan-2-ylmethyl)-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18111822
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51233348
2-[2-methoxyethyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
CID 119189502
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111596630
2-methyl-2-[methyl-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
CID 119200045
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 8962276

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid (CID 120539581) is 1-[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid is CN(C(=O)CCc1nc(-c2cccs2)no1)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is GNSCNPQIVZURON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-20(17(16(22)23)9-3-2-4-10-17)14(21)8-7-13-18-15(19-24-13)12-6-5-11-25-12/h5-6,11H,2-4,7-10H2,1H3,(H,22,23).
What are the key properties of 1-[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid?
1-[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 363.44 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120539581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).