3-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one

C14H11NO2 — CID 95656365

IUPAC3-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one
SMILESO=c1cc(Cc2cccc3ccccc23)[nH]o1
InChIInChI=1S/C14H11NO2/c16-14-9-12(15-17-14)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,9,15H,8H2
InChIKeyPZDMBLQFMBELJU-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.71
Rot. Bonds2

About 3-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one

3-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one (PubChem CID 95656365) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one
PubChem CID95656365
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name3-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one
SMILESO=c1cc(Cc2cccc3ccccc23)[nH]o1
InChIInChI=1S/C14H11NO2/c16-14-9-12(15-17-14)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,9,15H,8H2
InChIKeyPZDMBLQFMBELJU-UHFFFAOYSA-N
XLogP2.71
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-(naphthalen-2-ylmethyl)-2H-1,2-oxazol-5-one
CID 10060156
3-methyl-4-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one
CID 10243323
ethyl (E)-3-amino-3-naphthalen-1-ylprop-2-enoate
CID 14707767
3-(Naphthalen-1-yl)-1,2-oxazol-5-ol
CID 75359328
3-(Naphthalen-2-yl)-1,2-oxazol-5-ol
CID 75359329
3-benzyl-2H-1,2-oxazol-5-one
CID 92475370
3-(naphthalen-2-ylmethyl)-2H-1,2-oxazol-5-one
CID 123170185
(1H-cyclopenta[a]naphthalen-3-ylamino) acetate
CID 123175122
3-(9H-fluoren-1-yl)-2H-1,2-oxazol-5-one
CID 123373181
(3H-cyclopenta[a]naphthalen-1-ylamino) acetate
CID 123743902
3-Naphthalen-1-yl-2,5-dihydro-1,2-oxazole
CID 123751675
3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-1,2-oxazol-5-one
CID 123826253

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one?
The IUPAC name of 3-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one (CID 95656365) is 3-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one is O=c1cc(Cc2cccc3ccccc23)[nH]o1.
What is the InChIKey of 3-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one?
The InChIKey is PZDMBLQFMBELJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-14-9-12(15-17-14)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,9,15H,8H2.
What are the key properties of 3-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one?
3-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one has a molecular weight of 225.25 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one is sourced from PubChem (CID 95656365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).