N-ethyl-7-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C16H20N2O2S — CID 106927379

IUPACN-ethyl-7-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2cc(OC)ccc2CCC1Sc1ncco1
InChIInChI=1S/C16H20N2O2S/c1-3-17-15-13-10-12(19-2)6-4-11(13)5-7-14(15)21-16-18-8-9-20-16/h4,6,8-10,14-15,17H,3,5,7H2,1-2H3
InChIKeySHWQWQBRVJOENE-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.44
Rot. Bonds5

About N-ethyl-7-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-ethyl-7-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 106927379) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-ethyl-7-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-ethyl-7-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID106927379
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-ethyl-7-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2cc(OC)ccc2CCC1Sc1ncco1
InChIInChI=1S/C16H20N2O2S/c1-3-17-15-13-10-12(19-2)6-4-11(13)5-7-14(15)21-16-18-8-9-20-16/h4,6,8-10,14-15,17H,3,5,7H2,1-2H3
InChIKeySHWQWQBRVJOENE-UHFFFAOYSA-N
XLogP3.44
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-7-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

N-ethyl-6-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106927231
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106927305
methyl 2-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]acetate
CID 79236632
3-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 79237319
[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 79248721
N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79368198
N-ethyl-6-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763324
7-methoxy-N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236526
N-ethyl-6-methoxy-2-propylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64614896
2-(2,2-difluoroethoxy)-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82003829
N-ethyl-7-methoxy-2-(3-methoxypropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79235470
N-ethyl-7-methoxy-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248452

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-ethyl-7-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 106927379) is N-ethyl-7-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-ethyl-7-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-ethyl-7-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CCNC1c2cc(OC)ccc2CCC1Sc1ncco1.
What is the InChIKey of N-ethyl-7-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is SHWQWQBRVJOENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-17-15-13-10-12(19-2)6-4-11(13)5-7-14(15)21-16-18-8-9-20-16/h4,6,8-10,14-15,17H,3,5,7H2,1-2H3.
What are the key properties of N-ethyl-7-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-ethyl-7-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 304.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 106927379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).