2-[1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid

C16H24N2O3 — CID 61069483

IUPAC2-[1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nc(C3CCCCC3)no2)CCCC1
InChIInChI=1S/C16H24N2O3/c19-14(20)11-16(8-4-5-9-16)10-13-17-15(18-21-13)12-6-2-1-3-7-12/h12H,1-11H2,(H,19,20)
InChIKeyPSUNRFJOKRRJBC-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.69
Rot. Bonds5

About 2-[1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid

2-[1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid (PubChem CID 61069483) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid
PubChem CID61069483
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nc(C3CCCCC3)no2)CCCC1
InChIInChI=1S/C16H24N2O3/c19-14(20)11-16(8-4-5-9-16)10-13-17-15(18-21-13)12-6-2-1-3-7-12/h12H,1-11H2,(H,19,20)
InChIKeyPSUNRFJOKRRJBC-UHFFFAOYSA-N
XLogP3.69
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid (CID 61069483) is 2-[1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid is O=C(O)CC1(Cc2nc(C3CCCCC3)no2)CCCC1.
What is the InChIKey of 2-[1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid?
The InChIKey is PSUNRFJOKRRJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-14(20)11-16(8-4-5-9-16)10-13-17-15(18-21-13)12-6-2-1-3-7-12/h12H,1-11H2,(H,19,20).
What are the key properties of 2-[1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid?
2-[1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61069483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).