1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine

C16H21N3O — CID 43559349

IUPAC1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine
SMILESCCc1nc(C2(N)CCC(C)(C)c3ccccc32)no1
InChIInChI=1S/C16H21N3O/c1-4-13-18-14(19-20-13)16(17)10-9-15(2,3)11-7-5-6-8-12(11)16/h5-8H,4,9-10,17H2,1-3H3
InChIKeyFRBMXBVNHBOQNN-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.91
Rot. Bonds2

About 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine (PubChem CID 43559349) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine.

Molecular Properties

Compound Name1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine
PubChem CID43559349
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine
SMILESCCc1nc(C2(N)CCC(C)(C)c3ccccc32)no1
InChIInChI=1S/C16H21N3O/c1-4-13-18-14(19-20-13)16(17)10-9-15(2,3)11-7-5-6-8-12(11)16/h5-8H,4,9-10,17H2,1-3H3
InChIKeyFRBMXBVNHBOQNN-UHFFFAOYSA-N
XLogP2.91
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 75442560
1-(5-Fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 71923767
N-methoxy-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]propan-2-amine
CID 155468038
N-methoxy-2-methylpropan-2-amine;3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 159023688
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-naphthalen-1-amine
CID 43560011
2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-naphthalen-2-amine
CID 60795732
(5-Tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 62134993
2-[3-[2-(4-Fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 64759386
2-[3-[(3,4-Dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 79791093
1-[(1S,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 97074232
1-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 97074233
1-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 97074234

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine?
The IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine (CID 43559349) is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine.
What is the SMILES notation for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine?
The canonical SMILES for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine is CCc1nc(C2(N)CCC(C)(C)c3ccccc32)no1.
What is the InChIKey of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine?
The InChIKey is FRBMXBVNHBOQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-13-18-14(19-20-13)16(17)10-9-15(2,3)11-7-5-6-8-12(11)16/h5-8H,4,9-10,17H2,1-3H3.
What are the key properties of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine?
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine is sourced from PubChem (CID 43559349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).