3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole

C13H11NO — CID 123751675

IUPAC3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole
SMILESC1=C(c2cccc3ccccc23)NOC1
InChIInChI=1S/C13H11NO/c1-2-6-11-10(4-1)5-3-7-12(11)13-8-9-15-14-13/h1-8,14H,9H2
InChIKeyDZZNCFJQULRYKO-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.72
Rot. Bonds1

About 3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole

3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole (PubChem CID 123751675) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole
PubChem CID123751675
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole
SMILESC1=C(c2cccc3ccccc23)NOC1
InChIInChI=1S/C13H11NO/c1-2-6-11-10(4-1)5-3-7-12(11)13-8-9-15-14-13/h1-8,14H,9H2
InChIKeyDZZNCFJQULRYKO-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(1-Nitroethenyl)naphthalene
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(1Z)-1-naphthalen-1-ylbuta-1,3-dien-1-amine
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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole (CID 123751675) is 3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole is C1=C(c2cccc3ccccc23)NOC1.
What is the InChIKey of 3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole?
The InChIKey is DZZNCFJQULRYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-2-6-11-10(4-1)5-3-7-12(11)13-8-9-15-14-13/h1-8,14H,9H2.
What are the key properties of 3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole?
3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole has a molecular weight of 197.24 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 123751675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).