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

C15H13NO2 — CID 10243322

IUPAC5-methyl-4-(naphthalen-2-ylmethyl)-1,2-oxazol-3-one
SMILESCc1o[nH]c(=O)c1Cc1ccc2ccccc2c1
InChIInChI=1S/C15H13NO2/c1-10-14(15(17)16-18-10)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8H,9H2,1H3,(H,16,17)
InChIKeyUDDQJXLJOOIKPV-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.02
Rot. Bonds2

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

5-methyl-4-(naphthalen-2-ylmethyl)-1,2-oxazol-3-one (PubChem CID 10243322) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-methyl-4-(naphthalen-2-ylmethyl)-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-methyl-4-(naphthalen-2-ylmethyl)-1,2-oxazol-3-one
PubChem CID10243322
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name5-methyl-4-(naphthalen-2-ylmethyl)-1,2-oxazol-3-one
SMILESCc1o[nH]c(=O)c1Cc1ccc2ccccc2c1
InChIInChI=1S/C15H13NO2/c1-10-14(15(17)16-18-10)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8H,9H2,1H3,(H,16,17)
InChIKeyUDDQJXLJOOIKPV-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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Related Compounds

4-[(6-chloro-3-pyridinyl)methyl]-5-methyl-1,2-oxazol-3-one
CID 86191712
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide
CID 45260893
2-benzylnaphthalene
CID 11948
1,5-dimethoxy-4-(naphthalen-2-ylmethyl)-2H-isoquinolin-3-one
CID 141346200
2-[(3-benzylphenyl)methyl]naphthalene
CID 157208363
2-[[2-[(4-tert-butylphenyl)methyl]phenyl]methyl]naphthalene
CID 86082412
2-[(2,5-dimethylphenyl)methyl]naphthalene
CID 101429734
ethane;2-ethylnaphthalene
CID 90684887
4-methyl-5-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine
CID 43637199
2-ethylnaphthalene;N-methylmethanamine;hydrochloride
CID 70022653
2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene
CID 142943343

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(naphthalen-2-ylmethyl)-1,2-oxazol-3-one?
The IUPAC name of 5-methyl-4-(naphthalen-2-ylmethyl)-1,2-oxazol-3-one (CID 10243322) is 5-methyl-4-(naphthalen-2-ylmethyl)-1,2-oxazol-3-one.
What is the SMILES notation for 5-methyl-4-(naphthalen-2-ylmethyl)-1,2-oxazol-3-one?
The canonical SMILES for 5-methyl-4-(naphthalen-2-ylmethyl)-1,2-oxazol-3-one is Cc1o[nH]c(=O)c1Cc1ccc2ccccc2c1.
What is the InChIKey of 5-methyl-4-(naphthalen-2-ylmethyl)-1,2-oxazol-3-one?
The InChIKey is UDDQJXLJOOIKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10-14(15(17)16-18-10)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 5-methyl-4-(naphthalen-2-ylmethyl)-1,2-oxazol-3-one?
5-methyl-4-(naphthalen-2-ylmethyl)-1,2-oxazol-3-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 5-methyl-4-(naphthalen-2-ylmethyl)-1,2-oxazol-3-one is sourced from PubChem (CID 10243322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).