2-(3-tert-butyl-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole

C14H19NO2 — CID 162398654

IUPAC2-(3-tert-butyl-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(C2=NCCO2)cc1C(C)(C)C
InChIInChI=1S/C14H19NO2/c1-14(2,3)11-9-10(5-6-12(11)16-4)13-15-7-8-17-13/h5-6,9H,7-8H2,1-4H3
InChIKeySYTMWUGVEVGHJH-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.77
Rot. Bonds2

About 2-(3-tert-butyl-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole

2-(3-tert-butyl-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 162398654) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(3-tert-butyl-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(3-tert-butyl-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID162398654
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(3-tert-butyl-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(C2=NCCO2)cc1C(C)(C)C
InChIInChI=1S/C14H19NO2/c1-14(2,3)11-9-10(5-6-12(11)16-4)13-15-7-8-17-13/h5-6,9H,7-8H2,1-4H3
InChIKeySYTMWUGVEVGHJH-UHFFFAOYSA-N
XLogP2.77
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(3-tert-butyl-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole (CID 162398654) is 2-(3-tert-butyl-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(3-tert-butyl-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(3-tert-butyl-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole is COc1ccc(C2=NCCO2)cc1C(C)(C)C.
What is the InChIKey of 2-(3-tert-butyl-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is SYTMWUGVEVGHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,3)11-9-10(5-6-12(11)16-4)13-15-7-8-17-13/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 2-(3-tert-butyl-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
2-(3-tert-butyl-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 233.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-4-methoxyphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 162398654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).