2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine

C14H13N3O — CID 62071982

IUPAC2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESNCCc1nnc(-c2ccc3ccccc3c2)o1
InChIInChI=1S/C14H13N3O/c15-8-7-13-16-17-14(18-13)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8,15H2
InChIKeyIUWVBTPRWVMVGT-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.39
Rot. Bonds3

About 2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine

2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 62071982) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID62071982
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESNCCc1nnc(-c2ccc3ccccc3c2)o1
InChIInChI=1S/C14H13N3O/c15-8-7-13-16-17-14(18-13)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8,15H2
InChIKeyIUWVBTPRWVMVGT-UHFFFAOYSA-N
XLogP2.39
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)methyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 142315891
2-[5-(4-bromo-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62071467
2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 114771088
2-[4-(bromomethyl)phenyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 141345170
2-[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82131894
2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069885
2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4019395
2-(2-chloroethyl)-5-quinolin-6-yl-1,3,4-oxadiazole
CID 62850239
3-[5-(3-bromo-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 107952621
3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol
CID 62071460
6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 82483370
2-(1-bromopropyl)-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 62856201

Frequently Asked Questions

What is the IUPAC name of 2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of 2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine (CID 62071982) is 2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine is NCCc1nnc(-c2ccc3ccccc3c2)o1.
What is the InChIKey of 2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is IUWVBTPRWVMVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-8-7-13-16-17-14(18-13)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8,15H2.
What are the key properties of 2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 239.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 62071982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).