7-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-7-methylbicyclo[3.3.1]nonan-3-ol

C19H31N3O2 — CID 123898412

IUPAC7-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-7-methylbicyclo[3.3.1]nonan-3-ol
SMILESCC1(NCc2noc(C3CCCCC3)n2)CC2CC(O)CC(C2)C1
InChIInChI=1S/C19H31N3O2/c1-19(10-13-7-14(11-19)9-16(23)8-13)20-12-17-21-18(24-22-17)15-5-3-2-4-6-15/h13-16,20,23H,2-12H2,1H3
InChIKeyMNCMKTZCXDPPMC-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.54
Rot. Bonds4

About 7-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-7-methylbicyclo[3.3.1]nonan-3-ol

7-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-7-methylbicyclo[3.3.1]nonan-3-ol (PubChem CID 123898412) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 7-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-7-methylbicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name7-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-7-methylbicyclo[3.3.1]nonan-3-ol
PubChem CID123898412
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name7-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-7-methylbicyclo[3.3.1]nonan-3-ol
SMILESCC1(NCc2noc(C3CCCCC3)n2)CC2CC(O)CC(C2)C1
InChIInChI=1S/C19H31N3O2/c1-19(10-13-7-14(11-19)9-16(23)8-13)20-12-17-21-18(24-22-17)15-5-3-2-4-6-15/h13-16,20,23H,2-12H2,1H3
InChIKeyMNCMKTZCXDPPMC-UHFFFAOYSA-N
XLogP3.54
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-7-methylbicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 7-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-7-methylbicyclo[3.3.1]nonan-3-ol (CID 123898412) is 7-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-7-methylbicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 7-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-7-methylbicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 7-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-7-methylbicyclo[3.3.1]nonan-3-ol is CC1(NCc2noc(C3CCCCC3)n2)CC2CC(O)CC(C2)C1.
What is the InChIKey of 7-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-7-methylbicyclo[3.3.1]nonan-3-ol?
The InChIKey is MNCMKTZCXDPPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-19(10-13-7-14(11-19)9-16(23)8-13)20-12-17-21-18(24-22-17)15-5-3-2-4-6-15/h13-16,20,23H,2-12H2,1H3.
What are the key properties of 7-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-7-methylbicyclo[3.3.1]nonan-3-ol?
7-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-7-methylbicyclo[3.3.1]nonan-3-ol has a molecular weight of 333.48 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-7-methylbicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 123898412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).