N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine

C16H15N3O — CID 62716244

IUPACN-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
SMILESc1ccc2cc(-c3noc(CNC4CC4)n3)ccc2c1
InChIInChI=1S/C16H15N3O/c1-2-4-12-9-13(6-5-11(12)3-1)16-18-15(20-19-16)10-17-14-7-8-14/h1-6,9,14,17H,7-8,10H2
InChIKeyPKEVTMOHNIBOCB-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.14
Rot. Bonds4

About N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine

N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine (PubChem CID 62716244) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
PubChem CID62716244
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
SMILESc1ccc2cc(-c3noc(CNC4CC4)n3)ccc2c1
InChIInChI=1S/C16H15N3O/c1-2-4-12-9-13(6-5-11(12)3-1)16-18-15(20-19-16)10-17-14-7-8-14/h1-6,9,14,17H,7-8,10H2
InChIKeyPKEVTMOHNIBOCB-UHFFFAOYSA-N
XLogP3.14
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine (CID 62716244) is N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine is c1ccc2cc(-c3noc(CNC4CC4)n3)ccc2c1.
What is the InChIKey of N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
The InChIKey is PKEVTMOHNIBOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-4-12-9-13(6-5-11(12)3-1)16-18-15(20-19-16)10-17-14-7-8-14/h1-6,9,14,17H,7-8,10H2.
What are the key properties of N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine has a molecular weight of 265.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62716244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).