[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methanamine

C7H13N3O2 — CID 112603839

IUPAC[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCC(C)OCc1nnc(CN)o1
InChIInChI=1S/C7H13N3O2/c1-5(2)11-4-7-10-9-6(3-8)12-7/h5H,3-4,8H2,1-2H3
InChIKeyXSQFNAUDLQXOQY-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.45
Rot. Bonds4

About [5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 112603839) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is [5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID112603839
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCC(C)OCc1nnc(CN)o1
InChIInChI=1S/C7H13N3O2/c1-5(2)11-4-7-10-9-6(3-8)12-7/h5H,3-4,8H2,1-2H3
InChIKeyXSQFNAUDLQXOQY-UHFFFAOYSA-N
XLogP0.45
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 112603853
N-[2-[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 112603888
[5-(propan-2-yloxymethyl)furan-2-yl]methanamine
CID 62457675
1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 112603748
O-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]hydroxylamine
CID 45096041
[5-(2-methoxypropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630737
[5-(1-methoxypropan-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630315
propan-2-yl 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 102630227
(5-octyl-1,3,4-oxadiazol-2-yl)methanamine
CID 65428930
[2-(propan-2-yloxymethyl)phenyl]methanamine
CID 18070374
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine
CID 62343639
5-(aminomethyl)-N-(1,1-difluoropropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 127011526

Frequently Asked Questions

What is the IUPAC name of [5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 112603839) is [5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methanamine is CC(C)OCc1nnc(CN)o1.
What is the InChIKey of [5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is XSQFNAUDLQXOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-5(2)11-4-7-10-9-6(3-8)12-7/h5H,3-4,8H2,1-2H3.
What are the key properties of [5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 171.20 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 112603839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).