2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine

C6H11N3O — CID 82594252

IUPAC2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine
SMILESCc1nnc(C(C)CN)o1
InChIInChI=1S/C6H11N3O/c1-4(3-7)6-9-8-5(2)10-6/h4H,3,7H2,1-2H3
InChIKeyAYLBSCYODLJOGP-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.44
Rot. Bonds2

About 2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine

2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine (PubChem CID 82594252) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine
PubChem CID82594252
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine
SMILESCc1nnc(C(C)CN)o1
InChIInChI=1S/C6H11N3O/c1-4(3-7)6-9-8-5(2)10-6/h4H,3,7H2,1-2H3
InChIKeyAYLBSCYODLJOGP-UHFFFAOYSA-N
XLogP0.44
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Methyl-1,3,4-oxadiazol-2-yl)ethan-1-amine
CID 10057848
2-(5-(Methylsulfanyl)-1,3,4-oxadiazol-2-yl)ethan-1-amine
CID 933388
2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine Hydrochloride
CID 10057847
2-(5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl)ethan-1-amine
CID 55264118
2-[5-(Fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 58687551
N-ethyl-2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 58689305
2-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069890
2-[5-(2,2,2-Trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62070942
2-[5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 113801326
2-[5-(1,1-Difluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 130605237
2-[5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethylazanide
CID 154498823
2-(5-Methyl-1,3,4-oxadiazol-2-yl)ethanamine;dihydrochloride
CID 170913375

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine (CID 82594252) is 2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The canonical SMILES for 2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine is Cc1nnc(C(C)CN)o1.
What is the InChIKey of 2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The InChIKey is AYLBSCYODLJOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4(3-7)6-9-8-5(2)10-6/h4H,3,7H2,1-2H3.
What are the key properties of 2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine has a molecular weight of 141.17 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine is sourced from PubChem (CID 82594252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).