2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole

C16H17NO2 — CID 12914177

IUPAC2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1c(C2=NC(C)(C)CO2)ccc2ccccc12
InChIInChI=1S/C16H17NO2/c1-16(2)10-19-15(17-16)13-9-8-11-6-4-5-7-12(11)14(13)18-3/h4-9H,10H2,1-3H3
InChIKeyRMVAJCRMDZWXQG-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.40
Rot. Bonds2

About 2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole

2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 12914177) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID12914177
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1c(C2=NC(C)(C)CO2)ccc2ccccc12
InChIInChI=1S/C16H17NO2/c1-16(2)10-19-15(17-16)13-9-8-11-6-4-5-7-12(11)14(13)18-3/h4-9H,10H2,1-3H3
InChIKeyRMVAJCRMDZWXQG-UHFFFAOYSA-N
XLogP3.40
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole (CID 12914177) is 2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole is COc1c(C2=NC(C)(C)CO2)ccc2ccccc12.
What is the InChIKey of 2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is RMVAJCRMDZWXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-16(2)10-19-15(17-16)13-9-8-11-6-4-5-7-12(11)14(13)18-3/h4-9H,10H2,1-3H3.
What are the key properties of 2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 255.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 12914177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).