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

C15H16N2O — CID 71317490

IUPAC4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC(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
InChIKeyCCXYFOHSQUOJAN-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.04
Rot. Bonds2

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

4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 71317490) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID71317490
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC(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
InChIKeyCCXYFOHSQUOJAN-UHFFFAOYSA-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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Related Compounds

neodymium(3+);(4S)-4-propan-2-yl-2-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;trichloride
CID 173243081
(4R)-4-propan-2-yl-2-[6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyridazin-3-yl]-4,5-dihydro-1,3-oxazole
CID 132550078
(4S)-2-[6-[4-(1-iodoethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 163574251
4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 123940471
(4S)-4-propan-2-yl-2-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole
CID 127262930
(4S)-2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 164890547
(4R)-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 164890554
(4R)-2-(1-benzothiophen-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 162624164
bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]diazene
CID 177418004
CID 16689738
CID 16689738
2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
CID 828047
[2,6-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylstannane
CID 127262986

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole (CID 71317490) is 4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole is CC(C)C1COC(c2ccc3ccccc3n2)=N1.
What is the InChIKey of 4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is CCXYFOHSQUOJAN-UHFFFAOYSA-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.
What are the key properties of 4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole?
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 4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 71317490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).