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

C15H18N2O4 — CID 104798218

IUPAC1-[[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
SMILESCc1ccoc1-c1noc(CC2(C(=O)O)CCCCC2)n1
InChIInChI=1S/C15H18N2O4/c1-10-5-8-20-12(10)13-16-11(21-17-13)9-15(14(18)19)6-3-2-4-7-15/h5,8H,2-4,6-7,9H2,1H3,(H,18,19)
InChIKeyRLRGYYNNGCXUCM-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.22
Rot. Bonds4

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

1-[[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid (PubChem CID 104798218) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
PubChem CID104798218
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
SMILESCc1ccoc1-c1noc(CC2(C(=O)O)CCCCC2)n1
InChIInChI=1S/C15H18N2O4/c1-10-5-8-20-12(10)13-16-11(21-17-13)9-15(14(18)19)6-3-2-4-7-15/h5,8H,2-4,6-7,9H2,1H3,(H,18,19)
InChIKeyRLRGYYNNGCXUCM-UHFFFAOYSA-N
XLogP3.22
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 104797801
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 43471028
3,3-dimethyl-1-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 113455522
5-(chloromethyl)-3-(3-methylfuran-2-yl)-1,2,4-oxadiazole
CID 104797636
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 43471110
5-(2-chloroethyl)-3-(3-methylfuran-2-yl)-1,2,4-oxadiazole
CID 104797638
1-[[5-(3-methylfuran-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437087
1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cycloheptane-1-carboxylic acid
CID 82008732
1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
CID 79201753
N-methyl-3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104797709
1-[[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 80683706
1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 82007641

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid (CID 104798218) is 1-[[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid is Cc1ccoc1-c1noc(CC2(C(=O)O)CCCCC2)n1.
What is the InChIKey of 1-[[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is RLRGYYNNGCXUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10-5-8-20-12(10)13-16-11(21-17-13)9-15(14(18)19)6-3-2-4-7-15/h5,8H,2-4,6-7,9H2,1H3,(H,18,19).
What are the key properties of 1-[[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid?
1-[[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 104798218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).