2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylic acid

C14H11NO3 — CID 67144523

IUPAC2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)C1COC(c2cccc3ccccc23)=N1
InChIInChI=1S/C14H11NO3/c16-14(17)12-8-18-13(15-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8H2,(H,16,17)
InChIKeyKCDMUBBIVXNENP-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.07
Rot. Bonds2

About 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylic acid

2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylic acid (PubChem CID 67144523) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
PubChem CID67144523
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)C1COC(c2cccc3ccccc23)=N1
InChIInChI=1S/C14H11NO3/c16-14(17)12-8-18-13(15-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8H2,(H,16,17)
InChIKeyKCDMUBBIVXNENP-UHFFFAOYSA-N
XLogP2.07
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Isopropyl-2-(1-naphthyl)-2-oxazoline
CID 9547837
benzyl (4S)-2-phenyl-4,5-dihydrooxazole-4-carboxylate
CID 46201142
4-tert-butyl-2-naphthalen-2-yl-4H-1,3-oxazol-5-one
CID 42628248
benzyl (4S)-2-(3-fluorophenyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201210
(4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic Acid
CID 11218129
2-Phenyl-4,5-dihydro-oxazole-4-carboxylic acid
CID 22220877
(4S,5S)-5-methyl-2-phenyl-4,5-dihydrooxazole-4-carboxylic acid
CID 46889284
benzyl (4S)-2-benzyl-4,5-dihydrooxazole-4-carboxylate
CID 46201291
benzyl (4S)-2-(3-cyanophenyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201340
2-Naphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 293474
Benzyl N-(Diphenylmethylene)-L-serinate
CID 10872078
Tert-butyl 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 11289484

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylic acid (CID 67144523) is 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylic acid is O=C(O)C1COC(c2cccc3ccccc23)=N1.
What is the InChIKey of 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The InChIKey is KCDMUBBIVXNENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-14(17)12-8-18-13(15-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8H2,(H,16,17).
What are the key properties of 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylic acid has a molecular weight of 241.25 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 67144523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).