(4S)-4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole

C15H16N2O — CID 44604358

IUPAC(4S)-4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(c2ccc3ccccc3n2)=N1
InChIInChI=1S/C15H16N2O/c1-10(2)14-9-18-15(17-14)13-8-7-11-5-3-4-6-12(11)16-13/h3-8,10,14H,9H2,1-2H3/t14-/m1/s1
InChIKeyCCXYFOHSQUOJAN-CQSZACIVSA-N
MW240.31 g/mol
LogP3.04
Rot. Bonds2

About (4S)-4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole

(4S)-4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 44604358) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID44604358
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name(4S)-4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(c2ccc3ccccc3n2)=N1
InChIInChI=1S/C15H16N2O/c1-10(2)14-9-18-15(17-14)13-8-7-11-5-3-4-6-12(11)16-13/h3-8,10,14H,9H2,1-2H3/t14-/m1/s1
InChIKeyCCXYFOHSQUOJAN-CQSZACIVSA-N
XLogP3.04
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole (CID 44604358) is (4S)-4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(c2ccc3ccccc3n2)=N1.
What is the InChIKey of (4S)-4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is CCXYFOHSQUOJAN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10(2)14-9-18-15(17-14)13-8-7-11-5-3-4-6-12(11)16-13/h3-8,10,14H,9H2,1-2H3/t14-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 240.31 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 44604358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).