3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutan-1-ol

C8H13N3O2 — CID 107911715

IUPAC3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutan-1-ol
SMILESCc1nc(CNC2CC(O)C2)no1
InChIInChI=1S/C8H13N3O2/c1-5-10-8(11-13-5)4-9-6-2-7(12)3-6/h6-7,9,12H,2-4H2,1H3
InChIKeyOBNNEPGCTAEXKC-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.01
Rot. Bonds3

About 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutan-1-ol

3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutan-1-ol (PubChem CID 107911715) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutan-1-ol
PubChem CID107911715
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutan-1-ol
SMILESCc1nc(CNC2CC(O)C2)no1
InChIInChI=1S/C8H13N3O2/c1-5-10-8(11-13-5)4-9-6-2-7(12)3-6/h6-7,9,12H,2-4H2,1H3
InChIKeyOBNNEPGCTAEXKC-UHFFFAOYSA-N
XLogP-0.01
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-bromophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclobutan-1-amine
CID 106392117
3-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclopentan-1-ol
CID 106129527
2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine
CID 104892127
2,2-diethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxan-4-amine
CID 107911862
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylazepan-4-amine
CID 106391885
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 107911511
2,2-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylpropoxy)cyclobutan-1-amine
CID 106391891
3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclopentan-1-amine
CID 103698869
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine
CID 103698868
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
CID 130667873
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-2-one
CID 107911556
4-tert-butyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103698883

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutan-1-ol?
The IUPAC name of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutan-1-ol (CID 107911715) is 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutan-1-ol.
What is the SMILES notation for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutan-1-ol?
The canonical SMILES for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutan-1-ol is Cc1nc(CNC2CC(O)C2)no1.
What is the InChIKey of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutan-1-ol?
The InChIKey is OBNNEPGCTAEXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-10-8(11-13-5)4-9-6-2-7(12)3-6/h6-7,9,12H,2-4H2,1H3.
What are the key properties of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutan-1-ol?
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutan-1-ol has a molecular weight of 183.21 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutan-1-ol is sourced from PubChem (CID 107911715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).