N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-4,5-dihydro-1,3-oxazol-2-amine

C12H15N3O — CID 129368297

IUPACN-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESc1cnc2c(c1)CCC[C@@H]2NC1=NCCO1
InChIInChI=1S/C12H15N3O/c1-3-9-4-2-6-13-11(9)10(5-1)15-12-14-7-8-16-12/h2,4,6,10H,1,3,5,7-8H2,(H,14,15)/t10-/m0/s1
InChIKeyFQGUELKLCYPADL-JTQLQIEISA-N
MW217.27 g/mol
LogP1.43
Rot. Bonds1

About N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-4,5-dihydro-1,3-oxazol-2-amine

N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 129368297) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID129368297
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESc1cnc2c(c1)CCC[C@@H]2NC1=NCCO1
InChIInChI=1S/C12H15N3O/c1-3-9-4-2-6-13-11(9)10(5-1)15-12-14-7-8-16-12/h2,4,6,10H,1,3,5,7-8H2,(H,14,15)/t10-/m0/s1
InChIKeyFQGUELKLCYPADL-JTQLQIEISA-N
XLogP1.43
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-4,5-dihydro-1,3-oxazol-2-amine with MolForge

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Related Compounds

N-[(5S)-5,6,7,8-tetrahydroquinoxalin-5-yl]-4,5-dihydro-1,3-oxazol-2-amine
CID 129379652
N-(4-fluoro-5,6,7,8-tetrahydroquinolin-8-yl)-4,5-dihydro-1,3-oxazol-2-amine
CID 58149510
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
N-(2,5-difluorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079820
N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079828
N-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079351
2-N,2-N-dimethyl-5-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyridine-2,5-diamine
CID 79080303
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047
N-(4-bromo-2,6-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078755
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
N-(cyclopentylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079348

Frequently Asked Questions

What is the IUPAC name of N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-4,5-dihydro-1,3-oxazol-2-amine (CID 129368297) is N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-4,5-dihydro-1,3-oxazol-2-amine is c1cnc2c(c1)CCC[C@@H]2NC1=NCCO1.
What is the InChIKey of N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is FQGUELKLCYPADL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-9-4-2-6-13-11(9)10(5-1)15-12-14-7-8-16-12/h2,4,6,10H,1,3,5,7-8H2,(H,14,15)/t10-/m0/s1.
What are the key properties of N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-4,5-dihydro-1,3-oxazol-2-amine?
N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 217.27 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 129368297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).