2-[2-(2-methoxynaphthalen-1-yl)sulfinylphenyl]-4,5-dihydro-1,3-oxazole

C20H17NO3S — CID 101134260

IUPAC2-[2-(2-methoxynaphthalen-1-yl)sulfinylphenyl]-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc2ccccc2c1S(=O)c1ccccc1C1=NCCO1
InChIInChI=1S/C20H17NO3S/c1-23-17-11-10-14-6-2-3-7-15(14)19(17)25(22)18-9-5-4-8-16(18)20-21-12-13-24-20/h2-11H,12-13H2,1H3
InChIKeyCJPCYCIQNQNIDH-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.79
Rot. Bonds4

About 2-[2-(2-methoxynaphthalen-1-yl)sulfinylphenyl]-4,5-dihydro-1,3-oxazole

2-[2-(2-methoxynaphthalen-1-yl)sulfinylphenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 101134260) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[2-(2-methoxynaphthalen-1-yl)sulfinylphenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(2-methoxynaphthalen-1-yl)sulfinylphenyl]-4,5-dihydro-1,3-oxazole
PubChem CID101134260
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC Name2-[2-(2-methoxynaphthalen-1-yl)sulfinylphenyl]-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc2ccccc2c1S(=O)c1ccccc1C1=NCCO1
InChIInChI=1S/C20H17NO3S/c1-23-17-11-10-14-6-2-3-7-15(14)19(17)25(22)18-9-5-4-8-16(18)20-21-12-13-24-20/h2-11H,12-13H2,1H3
InChIKeyCJPCYCIQNQNIDH-UHFFFAOYSA-N
XLogP3.79
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 160797416
2-methoxynaphthalene-1-sulfinic acid
CID 1484864
(R)-2-methoxynaphthalene-1-sulfinamide
CID 40542898
2-biphenylen-1-yl-4,5-dihydro-1,3-oxazole
CID 174622186
1-[(R)-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3,4,5-trimethoxyphenyl]sulfinyl]-2-methoxynaphthalene
CID 57380904
4-(2-methoxynaphthalen-1-yl)-1,2-oxazol-5-amine
CID 117353085
2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-phenylaziridine
CID 134924826
1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-naphthalen-1-ylaziridine
CID 134925710
[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
CID 101172090
1-benzyl-4-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]piperazine
CID 28921899
trifluoro-(2-methoxynaphthalen-1-yl)boranuide
CID 63677245

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxynaphthalen-1-yl)sulfinylphenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[2-(2-methoxynaphthalen-1-yl)sulfinylphenyl]-4,5-dihydro-1,3-oxazole (CID 101134260) is 2-[2-(2-methoxynaphthalen-1-yl)sulfinylphenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[2-(2-methoxynaphthalen-1-yl)sulfinylphenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[2-(2-methoxynaphthalen-1-yl)sulfinylphenyl]-4,5-dihydro-1,3-oxazole is COc1ccc2ccccc2c1S(=O)c1ccccc1C1=NCCO1.
What is the InChIKey of 2-[2-(2-methoxynaphthalen-1-yl)sulfinylphenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is CJPCYCIQNQNIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S/c1-23-17-11-10-14-6-2-3-7-15(14)19(17)25(22)18-9-5-4-8-16(18)20-21-12-13-24-20/h2-11H,12-13H2,1H3.
What are the key properties of 2-[2-(2-methoxynaphthalen-1-yl)sulfinylphenyl]-4,5-dihydro-1,3-oxazole?
2-[2-(2-methoxynaphthalen-1-yl)sulfinylphenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 351.43 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxynaphthalen-1-yl)sulfinylphenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101134260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).