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

C12H17N3O4 — CID 114183213

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(CNC(=O)C2CCCCC2C(=O)O)no1
InChIInChI=1S/C12H17N3O4/c1-7-14-10(15-19-7)6-13-11(16)8-4-2-3-5-9(8)12(17)18/h8-9H,2-6H2,1H3,(H,13,16)(H,17,18)
InChIKeyRDZWCAJXPHBJKZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.89
Rot. Bonds4

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

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 114183213) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID114183213
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(CNC(=O)C2CCCCC2C(=O)O)no1
InChIInChI=1S/C12H17N3O4/c1-7-14-10(15-19-7)6-13-11(16)8-4-2-3-5-9(8)12(17)18/h8-9H,2-6H2,1H3,(H,13,16)(H,17,18)
InChIKeyRDZWCAJXPHBJKZ-UHFFFAOYSA-N
XLogP0.89
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 103811687
3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 114184257
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
CID 130667873
1-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119326934
1-[2-(hydroxymethyl)cyclohexyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 111631177
cis-(1R,2S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 133264927
4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 106402658
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(1R,2S)-2-methylsulfanylcyclohexyl]urea
CID 97219115
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 106402750
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-2-carboxamide
CID 103811683
(2S)-2-cyclopentyloxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylacetamide
CID 95630267
2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine
CID 104892127

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 114183213) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is Cc1nc(CNC(=O)C2CCCCC2C(=O)O)no1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is RDZWCAJXPHBJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7-14-10(15-19-7)6-13-11(16)8-4-2-3-5-9(8)12(17)18/h8-9H,2-6H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114183213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).