(3,5-dimethyl-1,2-oxazol-4-yl)methyl naphthalene-2-carboxylate

C17H15NO3 — CID 2078138

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl naphthalene-2-carboxylate
SMILESCc1noc(C)c1COC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H15NO3/c1-11-16(12(2)21-18-11)10-20-17(19)15-8-7-13-5-3-4-6-14(13)9-15/h3-9H,10H2,1-2H3
InChIKeyIWQSTXOELFOYQC-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.80
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl naphthalene-2-carboxylate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl naphthalene-2-carboxylate (PubChem CID 2078138) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl naphthalene-2-carboxylate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl naphthalene-2-carboxylate
PubChem CID2078138
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl naphthalene-2-carboxylate
SMILESCc1noc(C)c1COC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H15NO3/c1-11-16(12(2)21-18-11)10-20-17(19)15-8-7-13-5-3-4-6-14(13)9-15/h3-9H,10H2,1-2H3
InChIKeyIWQSTXOELFOYQC-UHFFFAOYSA-N
XLogP3.80
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl naphthalene-2-carboxylate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl naphthalene-2-carboxylate (CID 2078138) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl naphthalene-2-carboxylate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl naphthalene-2-carboxylate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl naphthalene-2-carboxylate is Cc1noc(C)c1COC(=O)c1ccc2ccccc2c1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl naphthalene-2-carboxylate?
The InChIKey is IWQSTXOELFOYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11-16(12(2)21-18-11)10-20-17(19)15-8-7-13-5-3-4-6-14(13)9-15/h3-9H,10H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl naphthalene-2-carboxylate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl naphthalene-2-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl naphthalene-2-carboxylate is sourced from PubChem (CID 2078138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).