1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine

C14H17N3O — CID 79845957

IUPAC1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine
SMILESNC1(Cc2nc(Cc3ccccc3)no2)CCC1
InChIInChI=1S/C14H17N3O/c15-14(7-4-8-14)10-13-16-12(17-18-13)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,15H2
InChIKeyBRVDNNOPGQTLAK-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.08
Rot. Bonds4

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

1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine (PubChem CID 79845957) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine
PubChem CID79845957
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine
SMILESNC1(Cc2nc(Cc3ccccc3)no2)CCC1
InChIInChI=1S/C14H17N3O/c15-14(7-4-8-14)10-13-16-12(17-18-13)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,15H2
InChIKeyBRVDNNOPGQTLAK-UHFFFAOYSA-N
XLogP2.08
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine (CID 79845957) is 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine is NC1(Cc2nc(Cc3ccccc3)no2)CCC1.
What is the InChIKey of 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine?
The InChIKey is BRVDNNOPGQTLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-14(7-4-8-14)10-13-16-12(17-18-13)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,15H2.
What are the key properties of 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine?
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine has a molecular weight of 243.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 79845957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).