3-methyl-4-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one

C15H13NO2 — CID 10243323

IUPAC3-methyl-4-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one
SMILESCc1[nH]oc(=O)c1Cc1cccc2ccccc12
InChIInChI=1S/C15H13NO2/c1-10-14(15(17)18-16-10)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,16H,9H2,1H3
InChIKeyLFIOTFXGDOZYCR-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.02
Rot. Bonds2

About 3-methyl-4-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one

3-methyl-4-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one (PubChem CID 10243323) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-methyl-4-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-methyl-4-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one
PubChem CID10243323
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3-methyl-4-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one
SMILESCc1[nH]oc(=O)c1Cc1cccc2ccccc12
InChIInChI=1S/C15H13NO2/c1-10-14(15(17)18-16-10)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,16H,9H2,1H3
InChIKeyLFIOTFXGDOZYCR-UHFFFAOYSA-N
XLogP3.02
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one?
The IUPAC name of 3-methyl-4-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one (CID 10243323) is 3-methyl-4-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-methyl-4-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-methyl-4-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one is Cc1[nH]oc(=O)c1Cc1cccc2ccccc12.
What is the InChIKey of 3-methyl-4-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one?
The InChIKey is LFIOTFXGDOZYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10-14(15(17)18-16-10)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,16H,9H2,1H3.
What are the key properties of 3-methyl-4-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one?
3-methyl-4-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one has a molecular weight of 239.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one is sourced from PubChem (CID 10243323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).