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

C14H20N2O4 — CID 66677870

IUPAC4-[5-(cyclopropylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nnc(COCC3CC3)o2)CC1
InChIInChI=1S/C14H20N2O4/c17-14(18)11-5-3-10(4-6-11)13-16-15-12(20-13)8-19-7-9-1-2-9/h9-11H,1-8H2,(H,17,18)
InChIKeySUBDQRXXORQIAV-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.35
Rot. Bonds6

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

4-[5-(cyclopropylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid (PubChem CID 66677870) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[5-(cyclopropylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-(cyclopropylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid
PubChem CID66677870
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[5-(cyclopropylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nnc(COCC3CC3)o2)CC1
InChIInChI=1S/C14H20N2O4/c17-14(18)11-5-3-10(4-6-11)13-16-15-12(20-13)8-19-7-9-1-2-9/h9-11H,1-8H2,(H,17,18)
InChIKeySUBDQRXXORQIAV-UHFFFAOYSA-N
XLogP2.35
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclopropylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[5-(cyclopropylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid (CID 66677870) is 4-[5-(cyclopropylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[5-(cyclopropylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[5-(cyclopropylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(c2nnc(COCC3CC3)o2)CC1.
What is the InChIKey of 4-[5-(cyclopropylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid?
The InChIKey is SUBDQRXXORQIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-14(18)11-5-3-10(4-6-11)13-16-15-12(20-13)8-19-7-9-1-2-9/h9-11H,1-8H2,(H,17,18).
What are the key properties of 4-[5-(cyclopropylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid?
4-[5-(cyclopropylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclopropylmethoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66677870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).