2-ethyl-5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]carbamoyl]furan-3-carboxylic acid

C17H21N3O5 — CID 120822527

IUPAC2-ethyl-5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC2(c3noc(C)n3)CCCCC2)cc1C(=O)O
InChIInChI=1S/C17H21N3O5/c1-3-12-11(15(22)23)9-13(24-12)14(21)19-17(7-5-4-6-8-17)16-18-10(2)25-20-16/h9H,3-8H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyZXVZOQMKYKJKQF-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.82
Rot. Bonds5

About 2-ethyl-5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]carbamoyl]furan-3-carboxylic acid

2-ethyl-5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]carbamoyl]furan-3-carboxylic acid (PubChem CID 120822527) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-ethyl-5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]carbamoyl]furan-3-carboxylic acid
PubChem CID120822527
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name2-ethyl-5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC2(c3noc(C)n3)CCCCC2)cc1C(=O)O
InChIInChI=1S/C17H21N3O5/c1-3-12-11(15(22)23)9-13(24-12)14(21)19-17(7-5-4-6-8-17)16-18-10(2)25-20-16/h9H,3-8H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyZXVZOQMKYKJKQF-UHFFFAOYSA-N
XLogP2.82
TPSA118.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]carbamoyl]furan-3-carboxylic acid with MolForge

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Related Compounds

2-ethyl-5-[[1-(4-fluorophenyl)cyclopentyl]carbamoyl]furan-3-carboxylic acid
CID 120821464
2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid
CID 120822379
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide
CID 55622314
4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide
CID 55622264
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]pyrazine-2-carboxamide
CID 33357885
2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 52571685
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyrazine-2-carboxamide
CID 47142312
3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]furan-2-carboxamide
CID 35781226
ethyl N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]phenyl]carbamate
CID 51112701
2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 71896477
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-methylsulfonylbenzamide
CID 55528264
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622459

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]carbamoyl]furan-3-carboxylic acid (CID 120822527) is 2-ethyl-5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]carbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)NC2(c3noc(C)n3)CCCCC2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]carbamoyl]furan-3-carboxylic acid?
The InChIKey is ZXVZOQMKYKJKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-3-12-11(15(22)23)9-13(24-12)14(21)19-17(7-5-4-6-8-17)16-18-10(2)25-20-16/h9H,3-8H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 2-ethyl-5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]carbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]carbamoyl]furan-3-carboxylic acid has a molecular weight of 347.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120822527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).