(2-methyl-1,3-oxazol-4-yl)-naphthalen-1-ylmethanone

C15H11NO2 — CID 114282561

IUPAC(2-methyl-1,3-oxazol-4-yl)-naphthalen-1-ylmethanone
SMILESCc1nc(C(=O)c2cccc3ccccc23)co1
InChIInChI=1S/C15H11NO2/c1-10-16-14(9-18-10)15(17)13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3
InChIKeyZJFMXHQFKHUHJO-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.37
Rot. Bonds2

About (2-methyl-1,3-oxazol-4-yl)-naphthalen-1-ylmethanone

(2-methyl-1,3-oxazol-4-yl)-naphthalen-1-ylmethanone (PubChem CID 114282561) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2-methyl-1,3-oxazol-4-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(2-methyl-1,3-oxazol-4-yl)-naphthalen-1-ylmethanone
PubChem CID114282561
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name(2-methyl-1,3-oxazol-4-yl)-naphthalen-1-ylmethanone
SMILESCc1nc(C(=O)c2cccc3ccccc23)co1
InChIInChI=1S/C15H11NO2/c1-10-16-14(9-18-10)15(17)13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3
InChIKeyZJFMXHQFKHUHJO-UHFFFAOYSA-N
XLogP3.37
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

naphthalen-1-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 65151492
(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
CID 43337274
methyl 4-(naphthalene-1-carbonyl)quinoline-2-carboxylate
CID 175123666
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
naphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
CID 146007709
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
dimethyl-(2-naphthalen-1-yl-2-oxoethyl)sulfanium
CID 58905973
(5-ethylfuran-2-yl)-naphthalen-1-ylmethanone
CID 62344595
naphthalene-1-carbonyl iodide
CID 87393513
1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
(2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone
CID 21432102

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-oxazol-4-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (2-methyl-1,3-oxazol-4-yl)-naphthalen-1-ylmethanone (CID 114282561) is (2-methyl-1,3-oxazol-4-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (2-methyl-1,3-oxazol-4-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (2-methyl-1,3-oxazol-4-yl)-naphthalen-1-ylmethanone is Cc1nc(C(=O)c2cccc3ccccc23)co1.
What is the InChIKey of (2-methyl-1,3-oxazol-4-yl)-naphthalen-1-ylmethanone?
The InChIKey is ZJFMXHQFKHUHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-10-16-14(9-18-10)15(17)13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3.
What are the key properties of (2-methyl-1,3-oxazol-4-yl)-naphthalen-1-ylmethanone?
(2-methyl-1,3-oxazol-4-yl)-naphthalen-1-ylmethanone has a molecular weight of 237.26 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-oxazol-4-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 114282561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).