2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-4,4-dimethyl-5H-1,3-oxazole

C15H19NO2 — CID 6445993

IUPAC2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1ccc(/C=C(\C)C2=NC(C)(C)CO2)cc1
InChIInChI=1S/C15H19NO2/c1-11(14-16-15(2,3)10-18-14)9-12-5-7-13(17-4)8-6-12/h5-9H,10H2,1-4H3/b11-9+
InChIKeyWZSXGMYPBVVXFY-PKNBQFBNSA-N
MW245.32 g/mol
LogP3.31
Rot. Bonds3

About 2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-4,4-dimethyl-5H-1,3-oxazole

2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 6445993) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID6445993
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1ccc(/C=C(\C)C2=NC(C)(C)CO2)cc1
InChIInChI=1S/C15H19NO2/c1-11(14-16-15(2,3)10-18-14)9-12-5-7-13(17-4)8-6-12/h5-9H,10H2,1-4H3/b11-9+
InChIKeyWZSXGMYPBVVXFY-PKNBQFBNSA-N
XLogP3.31
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-Dimethoxyphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 5149963
2-(3,4-Dimethoxyphenyl)-4,4-dimethyl-2-oxazoline
CID 2779168
4,5-Dihydro-2-(4-methoxyphenyl)-4,4-dimethyloxazole
CID 359337
4,4-Dimethyl-2-(2-methoxyphenyl)oxazoline
CID 333189
N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine
CID 5397262
1-(4-Methoxyphenyl)ethanone oxime
CID 5355943
2-(4-Methoxyphenyl)-2-oxazoline
CID 12333191
(E)-N-[(3Z)-4-(4-Ethoxyphenyl)but-3-EN-2-ylidene]hydroxylamine
CID 5340604
[2-(4-Methoxyphenyl)-4,5-dihydro-1,3-oxazole-4,4-diyl]dimethanol
CID 1511068
(S)-4-Isopropyl-2-(4-methoxyphenyl)-4,5-dihydrooxazole
CID 17756936
2-(4-Hexoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 53979108
(z)-N-(t-butyl)-1-(4-methoxyphenyl)methanimine oxide
CID 10176645

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-4,4-dimethyl-5H-1,3-oxazole (CID 6445993) is 2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-4,4-dimethyl-5H-1,3-oxazole is COc1ccc(/C=C(\C)C2=NC(C)(C)CO2)cc1.
What is the InChIKey of 2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is WZSXGMYPBVVXFY-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11(14-16-15(2,3)10-18-14)9-12-5-7-13(17-4)8-6-12/h5-9H,10H2,1-4H3/b11-9+.
What are the key properties of 2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 245.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 6445993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).