2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol

C13H23N3O3 — CID 75436511

IUPAC2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)NCc1noc(C2CCCCC2)n1
InChIInChI=1S/C13H23N3O3/c1-13(8-17,9-18)14-7-11-15-12(19-16-11)10-5-3-2-4-6-10/h10,14,17-18H,2-9H2,1H3
InChIKeyAVJSRTLIPPIBLS-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.95
Rot. Bonds6

About 2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol

2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol (PubChem CID 75436511) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol
PubChem CID75436511
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)NCc1noc(C2CCCCC2)n1
InChIInChI=1S/C13H23N3O3/c1-13(8-17,9-18)14-7-11-15-12(19-16-11)10-5-3-2-4-6-10/h10,14,17-18H,2-9H2,1H3
InChIKeyAVJSRTLIPPIBLS-UHFFFAOYSA-N
XLogP0.95
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol (CID 75436511) is 2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol is CC(CO)(CO)NCc1noc(C2CCCCC2)n1.
What is the InChIKey of 2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol?
The InChIKey is AVJSRTLIPPIBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-13(8-17,9-18)14-7-11-15-12(19-16-11)10-5-3-2-4-6-10/h10,14,17-18H,2-9H2,1H3.
What are the key properties of 2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol?
2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol has a molecular weight of 269.34 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol is sourced from PubChem (CID 75436511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).