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

C12H14FN3O — CID 58149510

IUPACN-(4-fluoro-5,6,7,8-tetrahydroquinolin-8-yl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESFc1ccnc2c1CCCC2NC1=NCCO1
InChIInChI=1S/C12H14FN3O/c13-9-4-5-14-11-8(9)2-1-3-10(11)16-12-15-6-7-17-12/h4-5,10H,1-3,6-7H2,(H,15,16)
InChIKeyYHOHGFYXWJYFLE-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.57
Rot. Bonds1

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

N-(4-fluoro-5,6,7,8-tetrahydroquinolin-8-yl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 58149510) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is N-(4-fluoro-5,6,7,8-tetrahydroquinolin-8-yl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-5,6,7,8-tetrahydroquinolin-8-yl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID58149510
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC NameN-(4-fluoro-5,6,7,8-tetrahydroquinolin-8-yl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESFc1ccnc2c1CCCC2NC1=NCCO1
InChIInChI=1S/C12H14FN3O/c13-9-4-5-14-11-8(9)2-1-3-10(11)16-12-15-6-7-17-12/h4-5,10H,1-3,6-7H2,(H,15,16)
InChIKeyYHOHGFYXWJYFLE-UHFFFAOYSA-N
XLogP1.57
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-5,6,7,8-tetrahydroquinolin-8-yl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of N-(4-fluoro-5,6,7,8-tetrahydroquinolin-8-yl)-4,5-dihydro-1,3-oxazol-2-amine (CID 58149510) is N-(4-fluoro-5,6,7,8-tetrahydroquinolin-8-yl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for N-(4-fluoro-5,6,7,8-tetrahydroquinolin-8-yl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for N-(4-fluoro-5,6,7,8-tetrahydroquinolin-8-yl)-4,5-dihydro-1,3-oxazol-2-amine is Fc1ccnc2c1CCCC2NC1=NCCO1.
What is the InChIKey of N-(4-fluoro-5,6,7,8-tetrahydroquinolin-8-yl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is YHOHGFYXWJYFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c13-9-4-5-14-11-8(9)2-1-3-10(11)16-12-15-6-7-17-12/h4-5,10H,1-3,6-7H2,(H,15,16).
What are the key properties of N-(4-fluoro-5,6,7,8-tetrahydroquinolin-8-yl)-4,5-dihydro-1,3-oxazol-2-amine?
N-(4-fluoro-5,6,7,8-tetrahydroquinolin-8-yl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 235.26 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-5,6,7,8-tetrahydroquinolin-8-yl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 58149510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).