(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride

C13H12ClN3O — CID 121237656

IUPAC(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
SMILESCl.NCc1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C13H11N3O.ClH/c14-8-12-15-13(16-17-12)11-7-3-5-9-4-1-2-6-10(9)11;/h1-7H,8,14H2;1H
InChIKeyWASLHQTVDUUSAW-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.77
Rot. Bonds2

About (3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride

(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride (PubChem CID 121237656) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is (3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
PubChem CID121237656
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
SMILESCl.NCc1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C13H11N3O.ClH/c14-8-12-15-13(16-17-12)11-7-3-5-9-4-1-2-6-10(9)11;/h1-7H,8,14H2;1H
InChIKeyWASLHQTVDUUSAW-UHFFFAOYSA-N
XLogP2.77
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 86261810
[3-(1,2-benzothiazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117336159
2-methyl-N-[(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 63771665
[3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117342084
N-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62716729
1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 63344511
4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346200
[3-(3-chloro-1-methylindazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117414013
[3-(2,3-dihydro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117309097
[3-(3-methyl-1,2-benzothiazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117367828
1-methoxy-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 63344557
1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol
CID 115112692

Frequently Asked Questions

What is the IUPAC name of (3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
The IUPAC name of (3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride (CID 121237656) is (3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride is Cl.NCc1nc(-c2cccc3ccccc23)no1.
What is the InChIKey of (3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
The InChIKey is WASLHQTVDUUSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O.ClH/c14-8-12-15-13(16-17-12)11-7-3-5-9-4-1-2-6-10(9)11;/h1-7H,8,14H2;1H.
What are the key properties of (3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride has a molecular weight of 261.71 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 121237656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).