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

C17H13N3OS — CID 51252522

IUPACN-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine
SMILESc1ccc2c(NCc3nc(-c4ccsc4)no3)cccc2c1
InChIInChI=1S/C17H13N3OS/c1-2-6-14-12(4-1)5-3-7-15(14)18-10-16-19-17(20-21-16)13-8-9-22-11-13/h1-9,11,18H,10H2
InChIKeyVPLRTHIZBTXEJP-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.56
Rot. Bonds4

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

N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine (PubChem CID 51252522) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine
PubChem CID51252522
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC NameN-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine
SMILESc1ccc2c(NCc3nc(-c4ccsc4)no3)cccc2c1
InChIInChI=1S/C17H13N3OS/c1-2-6-14-12(4-1)5-3-7-15(14)18-10-16-19-17(20-21-16)13-8-9-22-11-13/h1-9,11,18H,10H2
InChIKeyVPLRTHIZBTXEJP-UHFFFAOYSA-N
XLogP4.56
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[cyclohexyl(methyl)amino]methyl]-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 24674309
2-chloro-4-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 24674213
5-bromo-2-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 47313618
N-(furan-2-ylmethyl)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 16577154
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 47429780
(2R)-2-phenyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol
CID 95306671
2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 47431933
3-bromo-5-chloro-2-ethoxy-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 24615180
1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride
CID 119947853
5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 43627759
N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119439388
N-(2-methylsulfanylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17465065

Frequently Asked Questions

What is the IUPAC name of N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine?
The IUPAC name of N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine (CID 51252522) is N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine.
What is the SMILES notation for N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine?
The canonical SMILES for N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine is c1ccc2c(NCc3nc(-c4ccsc4)no3)cccc2c1.
What is the InChIKey of N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine?
The InChIKey is VPLRTHIZBTXEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c1-2-6-14-12(4-1)5-3-7-15(14)18-10-16-19-17(20-21-16)13-8-9-22-11-13/h1-9,11,18H,10H2.
What are the key properties of N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine?
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine has a molecular weight of 307.38 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine is sourced from PubChem (CID 51252522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).