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

C14H17N3O — CID 141048929

IUPACN-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESc1cnc2c(c1)CCCC2NCCc1ncco1
InChIInChI=1S/C14H17N3O/c1-3-11-4-2-7-17-14(11)12(5-1)15-8-6-13-16-9-10-18-13/h2,4,7,9-10,12,15H,1,3,5-6,8H2
InChIKeyIHPBRQPRSHSXNS-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.28
Rot. Bonds4

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

N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 141048929) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID141048929
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESc1cnc2c(c1)CCCC2NCCc1ncco1
InChIInChI=1S/C14H17N3O/c1-3-11-4-2-7-17-14(11)12(5-1)15-8-6-13-16-9-10-18-13/h2,4,7,9-10,12,15H,1,3,5-6,8H2
InChIKeyIHPBRQPRSHSXNS-UHFFFAOYSA-N
XLogP2.28
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 141048929) is N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is c1cnc2c(c1)CCCC2NCCc1ncco1.
What is the InChIKey of N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is IHPBRQPRSHSXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-11-4-2-7-17-14(11)12(5-1)15-8-6-13-16-9-10-18-13/h2,4,7,9-10,12,15H,1,3,5-6,8H2.
What are the key properties of N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 243.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-oxazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 141048929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).