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

C11H15N3O4 — CID 120975706

IUPAC2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1noc(C(C)NC(=O)C2CCC2C(=O)O)n1
InChIInChI=1S/C11H15N3O4/c1-5(10-13-6(2)14-18-10)12-9(15)7-3-4-8(7)11(16)17/h5,7-8H,3-4H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyWNPVBXUPYWBIFN-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.67
Rot. Bonds4

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

2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975706) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975706
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1noc(C(C)NC(=O)C2CCC2C(=O)O)n1
InChIInChI=1S/C11H15N3O4/c1-5(10-13-6(2)14-18-10)12-9(15)7-3-4-8(7)11(16)17/h5,7-8H,3-4H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyWNPVBXUPYWBIFN-UHFFFAOYSA-N
XLogP0.67
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119310286
cis-(1R,2S)-2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119041
cis-(1S,2R)-2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119043
(1S)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95317200
2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974742
tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 56770615
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975923
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 60606531
cis-(1S,2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106387762
trans-(1S,2S)-2-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132128
1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 124850689
cis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114092665

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120975706) is 2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid is Cc1noc(C(C)NC(=O)C2CCC2C(=O)O)n1.
What is the InChIKey of 2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is WNPVBXUPYWBIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-5(10-13-6(2)14-18-10)12-9(15)7-3-4-8(7)11(16)17/h5,7-8H,3-4H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).