7-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-one

C17H15N3O2S — CID 99817916

IUPAC7-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2ccc(NCc3nc(-c4cccs4)no3)cc21
InChIInChI=1S/C17H15N3O2S/c21-14-4-1-3-11-6-7-12(9-13(11)14)18-10-16-19-17(20-22-16)15-5-2-8-23-15/h2,5-9,18H,1,3-4,10H2
InChIKeyQBFONINMMIWXCP-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.93
Rot. Bonds4

About 7-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-one

7-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 99817916) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 7-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID99817916
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name7-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2ccc(NCc3nc(-c4cccs4)no3)cc21
InChIInChI=1S/C17H15N3O2S/c21-14-4-1-3-11-6-7-12(9-13(11)14)18-10-16-19-17(20-22-16)15-5-2-8-23-15/h2,5-9,18H,1,3-4,10H2
InChIKeyQBFONINMMIWXCP-UHFFFAOYSA-N
XLogP3.93
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-one with MolForge

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Related Compounds

3-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 17452778
N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(trifluoromethoxy)aniline
CID 31418029
2-methoxy-N-[3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide
CID 39998932
1-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one
CID 17399408
N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexanecarboxamide
CID 110293437
N-(methylsulfamoyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 110632114
N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90563966
N-[4-methyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]benzamide
CID 60536221
2-(1-hydroxycyclohexyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 111537358
1-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 55881907
7-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3,4-dihydro-2H-naphthalen-1-one
CID 99817913
1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one
CID 28737412

Frequently Asked Questions

What is the IUPAC name of 7-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-one (CID 99817916) is 7-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2ccc(NCc3nc(-c4cccs4)no3)cc21.
What is the InChIKey of 7-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is QBFONINMMIWXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c21-14-4-1-3-11-6-7-12(9-13(11)14)18-10-16-19-17(20-22-16)15-5-2-8-23-15/h2,5-9,18H,1,3-4,10H2.
What are the key properties of 7-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-one?
7-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 325.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 99817916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).