[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine

C9H15N3O2 — CID 65159736

IUPAC[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(CCC2CCCO2)o1
InChIInChI=1S/C9H15N3O2/c10-6-9-12-11-8(14-9)4-3-7-2-1-5-13-7/h7H,1-6,10H2
InChIKeyBXMMCOCNEGKODD-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.64
Rot. Bonds4

About [5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine

[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 65159736) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is [5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID65159736
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(CCC2CCCO2)o1
InChIInChI=1S/C9H15N3O2/c10-6-9-12-11-8(14-9)4-3-7-2-1-5-13-7/h7H,1-6,10H2
InChIKeyBXMMCOCNEGKODD-UHFFFAOYSA-N
XLogP0.64
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 65159274
2-iodo-5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazole
CID 114771865
[5-[2-(oxolan-2-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630087
N-methyl-3-[5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63952195
5-(aminomethyl)-N-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106969861
(E)-3-[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81256992
3-iodo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazole
CID 112572494
(E)-3-[5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81252731
[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methanol
CID 102660318
2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-5-amine
CID 65155627
1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852435
5-(chloromethyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106957263

Frequently Asked Questions

What is the IUPAC name of [5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine (CID 65159736) is [5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(CCC2CCCO2)o1.
What is the InChIKey of [5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is BXMMCOCNEGKODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-6-9-12-11-8(14-9)4-3-7-2-1-5-13-7/h7H,1-6,10H2.
What are the key properties of [5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine?
[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 197.24 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 65159736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).