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

C14H13N3O — CID 43559249

IUPAC(5-methyl-1,2,4-oxadiazol-3-yl)-naphthalen-2-ylmethanamine
SMILESCc1nc(C(N)c2ccc3ccccc3c2)no1
InChIInChI=1S/C14H13N3O/c1-9-16-14(17-18-9)13(15)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13H,15H2,1H3
InChIKeySPHDGPQWONNURU-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.58
Rot. Bonds2

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

(5-methyl-1,2,4-oxadiazol-3-yl)-naphthalen-2-ylmethanamine (PubChem CID 43559249) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is (5-methyl-1,2,4-oxadiazol-3-yl)-naphthalen-2-ylmethanamine.

Molecular Properties

Compound Name(5-methyl-1,2,4-oxadiazol-3-yl)-naphthalen-2-ylmethanamine
PubChem CID43559249
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name(5-methyl-1,2,4-oxadiazol-3-yl)-naphthalen-2-ylmethanamine
SMILESCc1nc(C(N)c2ccc3ccccc3c2)no1
InChIInChI=1S/C14H13N3O/c1-9-16-14(17-18-9)13(15)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13H,15H2,1H3
InChIKeySPHDGPQWONNURU-UHFFFAOYSA-N
XLogP2.58
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559286
(4-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559285
(4-bromo-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 81437623
(3-ethoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 60874665
4-[amino-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline
CID 43559235
1-naphthalen-2-ylethanamine
CID 3857145
(1R,2S)-1,2-dinaphthalen-2-ylethane-1,2-diamine
CID 14048524
(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine
CID 102763371
(4-methylphenyl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559660
(4-fluorophenyl)-naphthalen-2-ylmethanamine
CID 43184816
(1,5-dimethylpyrazol-4-yl)-naphthalen-2-ylmethanamine
CID 105141685
(2-fluoro-3-methylphenyl)-naphthalen-2-ylmethanamine
CID 115850991

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2,4-oxadiazol-3-yl)-naphthalen-2-ylmethanamine?
The IUPAC name of (5-methyl-1,2,4-oxadiazol-3-yl)-naphthalen-2-ylmethanamine (CID 43559249) is (5-methyl-1,2,4-oxadiazol-3-yl)-naphthalen-2-ylmethanamine.
What is the SMILES notation for (5-methyl-1,2,4-oxadiazol-3-yl)-naphthalen-2-ylmethanamine?
The canonical SMILES for (5-methyl-1,2,4-oxadiazol-3-yl)-naphthalen-2-ylmethanamine is Cc1nc(C(N)c2ccc3ccccc3c2)no1.
What is the InChIKey of (5-methyl-1,2,4-oxadiazol-3-yl)-naphthalen-2-ylmethanamine?
The InChIKey is SPHDGPQWONNURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-16-14(17-18-9)13(15)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13H,15H2,1H3.
What are the key properties of (5-methyl-1,2,4-oxadiazol-3-yl)-naphthalen-2-ylmethanamine?
(5-methyl-1,2,4-oxadiazol-3-yl)-naphthalen-2-ylmethanamine has a molecular weight of 239.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2,4-oxadiazol-3-yl)-naphthalen-2-ylmethanamine is sourced from PubChem (CID 43559249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).