5-methyl-2-(4-phenylmethoxyphenyl)-3H-1,2-oxazole

C17H17NO2 — CID 141145466

IUPAC5-methyl-2-(4-phenylmethoxyphenyl)-3H-1,2-oxazole
SMILESCC1=CCN(c2ccc(OCc3ccccc3)cc2)O1
InChIInChI=1S/C17H17NO2/c1-14-11-12-18(20-14)16-7-9-17(10-8-16)19-13-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3
InChIKeyROUXGOGMQYRNQK-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.92
Rot. Bonds4

About 5-methyl-2-(4-phenylmethoxyphenyl)-3H-1,2-oxazole

5-methyl-2-(4-phenylmethoxyphenyl)-3H-1,2-oxazole (PubChem CID 141145466) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-methyl-2-(4-phenylmethoxyphenyl)-3H-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-2-(4-phenylmethoxyphenyl)-3H-1,2-oxazole
PubChem CID141145466
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name5-methyl-2-(4-phenylmethoxyphenyl)-3H-1,2-oxazole
SMILESCC1=CCN(c2ccc(OCc3ccccc3)cc2)O1
InChIInChI=1S/C17H17NO2/c1-14-11-12-18(20-14)16-7-9-17(10-8-16)19-13-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3
InChIKeyROUXGOGMQYRNQK-UHFFFAOYSA-N
XLogP3.92
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-phenylmethoxyphenyl)morpholine-3,5-dione
CID 23821636
fluoromethane;1-methyl-4-phenylmethoxybenzene
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CID 151898979
methyl-tris(4-phenylmethoxyphenyl)silane
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1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one
CID 90876902
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
3-methyl-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 2735500
1-phenylmethoxy-4-propoxybenzene
CID 10728874
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-phenylmethoxyphenyl)-3H-1,2-oxazole?
The IUPAC name of 5-methyl-2-(4-phenylmethoxyphenyl)-3H-1,2-oxazole (CID 141145466) is 5-methyl-2-(4-phenylmethoxyphenyl)-3H-1,2-oxazole.
What is the SMILES notation for 5-methyl-2-(4-phenylmethoxyphenyl)-3H-1,2-oxazole?
The canonical SMILES for 5-methyl-2-(4-phenylmethoxyphenyl)-3H-1,2-oxazole is CC1=CCN(c2ccc(OCc3ccccc3)cc2)O1.
What is the InChIKey of 5-methyl-2-(4-phenylmethoxyphenyl)-3H-1,2-oxazole?
The InChIKey is ROUXGOGMQYRNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-14-11-12-18(20-14)16-7-9-17(10-8-16)19-13-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3.
What are the key properties of 5-methyl-2-(4-phenylmethoxyphenyl)-3H-1,2-oxazole?
5-methyl-2-(4-phenylmethoxyphenyl)-3H-1,2-oxazole has a molecular weight of 267.33 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-phenylmethoxyphenyl)-3H-1,2-oxazole is sourced from PubChem (CID 141145466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).