2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylcyclohexane-1-carboxylic acid

C17H25N3O4 — CID 120546481

IUPAC2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1(NC(=O)CCCc2nc(C3CC3)no2)CCCCC1C(=O)O
InChIInChI=1S/C17H25N3O4/c1-17(10-3-2-5-12(17)16(22)23)19-13(21)6-4-7-14-18-15(20-24-14)11-8-9-11/h11-12H,2-10H2,1H3,(H,19,21)(H,22,23)
InChIKeyUCQMRTDOFXXLCQ-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.42
Rot. Bonds7

About 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylcyclohexane-1-carboxylic acid

2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 120546481) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylcyclohexane-1-carboxylic acid
PubChem CID120546481
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1(NC(=O)CCCc2nc(C3CC3)no2)CCCCC1C(=O)O
InChIInChI=1S/C17H25N3O4/c1-17(10-3-2-5-12(17)16(22)23)19-13(21)6-4-7-14-18-15(20-24-14)11-8-9-11/h11-12H,2-10H2,1H3,(H,19,21)(H,22,23)
InChIKeyUCQMRTDOFXXLCQ-UHFFFAOYSA-N
XLogP2.42
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylcyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511
6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174670
2-(butanoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120545841
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid
CID 119199076
N-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119522706
2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 120546524
1-(2-azaspiro[5.5]undecan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 84584459
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346459
4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65390677
2-[3-(4-bromophenyl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120546495
2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696739

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylcyclohexane-1-carboxylic acid (CID 120546481) is 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylcyclohexane-1-carboxylic acid is CC1(NC(=O)CCCc2nc(C3CC3)no2)CCCCC1C(=O)O.
What is the InChIKey of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is UCQMRTDOFXXLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-17(10-3-2-5-12(17)16(22)23)19-13(21)6-4-7-14-18-15(20-24-14)11-8-9-11/h11-12H,2-10H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylcyclohexane-1-carboxylic acid?
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 120546481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).