1-cyclopropyl-2-[methyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol

C12H21N3O2 — CID 102559230

IUPAC1-cyclopropyl-2-[methyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
SMILESCC(C)c1nnc(CN(C)CC(O)C2CC2)o1
InChIInChI=1S/C12H21N3O2/c1-8(2)12-14-13-11(17-12)7-15(3)6-10(16)9-4-5-9/h8-10,16H,4-7H2,1-3H3
InChIKeyLMQSYBNIMUNYQT-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.40
Rot. Bonds6

About 1-cyclopropyl-2-[methyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol

1-cyclopropyl-2-[methyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol (PubChem CID 102559230) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-[methyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[methyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
PubChem CID102559230
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-cyclopropyl-2-[methyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
SMILESCC(C)c1nnc(CN(C)CC(O)C2CC2)o1
InChIInChI=1S/C12H21N3O2/c1-8(2)12-14-13-11(17-12)7-15(3)6-10(16)9-4-5-9/h8-10,16H,4-7H2,1-3H3
InChIKeyLMQSYBNIMUNYQT-UHFFFAOYSA-N
XLogP1.40
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[methyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[methyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol (CID 102559230) is 1-cyclopropyl-2-[methyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[methyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[methyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol is CC(C)c1nnc(CN(C)CC(O)C2CC2)o1.
What is the InChIKey of 1-cyclopropyl-2-[methyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
The InChIKey is LMQSYBNIMUNYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)12-14-13-11(17-12)7-15(3)6-10(16)9-4-5-9/h8-10,16H,4-7H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-[methyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
1-cyclopropyl-2-[methyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol has a molecular weight of 239.32 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[methyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 102559230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).