5-methyl-2-naphthalen-2-yl-4-propyl-5,6-dihydro-4H-1,3-oxazine

C18H21NO — CID 126695518

IUPAC5-methyl-2-naphthalen-2-yl-4-propyl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCC1N=C(c2ccc3ccccc3c2)OCC1C
InChIInChI=1S/C18H21NO/c1-3-6-17-13(2)12-20-18(19-17)16-10-9-14-7-4-5-8-15(14)11-16/h4-5,7-11,13,17H,3,6,12H2,1-2H3
InChIKeyIFYQTIDPINKNOK-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.42
Rot. Bonds3

About 5-methyl-2-naphthalen-2-yl-4-propyl-5,6-dihydro-4H-1,3-oxazine

5-methyl-2-naphthalen-2-yl-4-propyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 126695518) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-methyl-2-naphthalen-2-yl-4-propyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name5-methyl-2-naphthalen-2-yl-4-propyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID126695518
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name5-methyl-2-naphthalen-2-yl-4-propyl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCC1N=C(c2ccc3ccccc3c2)OCC1C
InChIInChI=1S/C18H21NO/c1-3-6-17-13(2)12-20-18(19-17)16-10-9-14-7-4-5-8-15(14)11-16/h4-5,7-11,13,17H,3,6,12H2,1-2H3
InChIKeyIFYQTIDPINKNOK-UHFFFAOYSA-N
XLogP4.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-naphthalen-2-yl-4-propyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 5-methyl-2-naphthalen-2-yl-4-propyl-5,6-dihydro-4H-1,3-oxazine (CID 126695518) is 5-methyl-2-naphthalen-2-yl-4-propyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 5-methyl-2-naphthalen-2-yl-4-propyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 5-methyl-2-naphthalen-2-yl-4-propyl-5,6-dihydro-4H-1,3-oxazine is CCCC1N=C(c2ccc3ccccc3c2)OCC1C.
What is the InChIKey of 5-methyl-2-naphthalen-2-yl-4-propyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is IFYQTIDPINKNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-6-17-13(2)12-20-18(19-17)16-10-9-14-7-4-5-8-15(14)11-16/h4-5,7-11,13,17H,3,6,12H2,1-2H3.
What are the key properties of 5-methyl-2-naphthalen-2-yl-4-propyl-5,6-dihydro-4H-1,3-oxazine?
5-methyl-2-naphthalen-2-yl-4-propyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 267.37 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-naphthalen-2-yl-4-propyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 126695518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).