2-(1-phenyl-3,4-dihydro-2H-naphthalen-1-yl)-4,5-dihydro-1,3-oxazole

C19H19NO — CID 90998148

IUPAC2-(1-phenyl-3,4-dihydro-2H-naphthalen-1-yl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2(C3=NCCO3)CCCc3ccccc32)cc1
InChIInChI=1S/C19H19NO/c1-2-9-16(10-3-1)19(18-20-13-14-21-18)12-6-8-15-7-4-5-11-17(15)19/h1-5,7,9-11H,6,8,12-14H2
InChIKeyYECPCFXBOZJNEG-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.74
Rot. Bonds2

About 2-(1-phenyl-3,4-dihydro-2H-naphthalen-1-yl)-4,5-dihydro-1,3-oxazole

2-(1-phenyl-3,4-dihydro-2H-naphthalen-1-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 90998148) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(1-phenyl-3,4-dihydro-2H-naphthalen-1-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(1-phenyl-3,4-dihydro-2H-naphthalen-1-yl)-4,5-dihydro-1,3-oxazole
PubChem CID90998148
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2-(1-phenyl-3,4-dihydro-2H-naphthalen-1-yl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2(C3=NCCO3)CCCc3ccccc32)cc1
InChIInChI=1S/C19H19NO/c1-2-9-16(10-3-1)19(18-20-13-14-21-18)12-6-8-15-7-4-5-11-17(15)19/h1-5,7,9-11H,6,8,12-14H2
InChIKeyYECPCFXBOZJNEG-UHFFFAOYSA-N
XLogP3.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Trityl-4,5-dihydrooxazole
CID 24799664
(Dihydro-3,3-diphenyl-3H-furan-2-ylidene)dimethylammonium bromide
CID 2723589
Dimethyl (tetrahydro-3,3-diphenyl-2-furylidene) ammonium
CID 2723590
4,4-dimethyl-2-(1-methyl-4H-naphthalen-1-yl)-5H-oxazole
CID 455267
(4S)-4-tert-butyl-2-[1-(2-iodophenyl)-1-phenylethyl]-4,5-dihydro-1,3-oxazole
CID 11750846
2-Naphthylmethyl-2-oxazoline
CID 171115242
2-[2-[2-(4-fluorophenyl)-2-phenylethyl]-3-methyl-1H-naphthalen-2-yl]-4,5-dihydro-1,3-oxazole
CID 152291938
(S)-4-(tert-Butyl)-2-(2-(diphenylphosphino)benzyl)-4,5-dihydrooxazole
CID 11384061
(4S)-4-tert-butyl-2-(1,1-diphenylethyl)-4,5-dihydro-1,3-oxazole
CID 11426795
4,4-dimethyl-2-[1-(2-methylphenyl)cyclopentyl]-5H-1,3-oxazole
CID 11586942
4,4-dimethyl-2-(1-phenylcyclohexyl)-5H-1,3-oxazole
CID 86092668
2-[1-(2-ethylphenyl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
CID 86092678

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyl-3,4-dihydro-2H-naphthalen-1-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(1-phenyl-3,4-dihydro-2H-naphthalen-1-yl)-4,5-dihydro-1,3-oxazole (CID 90998148) is 2-(1-phenyl-3,4-dihydro-2H-naphthalen-1-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(1-phenyl-3,4-dihydro-2H-naphthalen-1-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(1-phenyl-3,4-dihydro-2H-naphthalen-1-yl)-4,5-dihydro-1,3-oxazole is c1ccc(C2(C3=NCCO3)CCCc3ccccc32)cc1.
What is the InChIKey of 2-(1-phenyl-3,4-dihydro-2H-naphthalen-1-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is YECPCFXBOZJNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-2-9-16(10-3-1)19(18-20-13-14-21-18)12-6-8-15-7-4-5-11-17(15)19/h1-5,7,9-11H,6,8,12-14H2.
What are the key properties of 2-(1-phenyl-3,4-dihydro-2H-naphthalen-1-yl)-4,5-dihydro-1,3-oxazole?
2-(1-phenyl-3,4-dihydro-2H-naphthalen-1-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 277.37 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyl-3,4-dihydro-2H-naphthalen-1-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 90998148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).