2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole

C13H17NO2 — CID 3041213

IUPAC2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1ccc(CC2=NC(C)(C)CO2)cc1
InChIInChI=1S/C13H17NO2/c1-13(2)9-16-12(14-13)8-10-4-6-11(15-3)7-5-10/h4-7H,8-9H2,1-3H3
InChIKeyFCNGYVHWRGIPFH-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.44
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole

2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 3041213) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID3041213
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1ccc(CC2=NC(C)(C)CO2)cc1
InChIInChI=1S/C13H17NO2/c1-13(2)9-16-12(14-13)8-10-4-6-11(15-3)7-5-10/h4-7H,8-9H2,1-3H3
InChIKeyFCNGYVHWRGIPFH-UHFFFAOYSA-N
XLogP2.44
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.44
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
(5R)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 26433643
1-(4-Methoxyphenyl)ethanone oxime
CID 5355943
N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine
CID 11229314
2-(4-Methoxyphenyl)-2-oxazoline
CID 12333191
N-(tert-butyl)-N-[2-(4-methoxyphenyl)-3-(methylsulfanyl)-2-cyclobuten-1-ylidene]amine
CID 821512
(5R)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 71561837
[2-(4-Methoxyphenyl)-4,5-dihydro-1,3-oxazole-4,4-diyl]dimethanol
CID 1511068

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole (CID 3041213) is 2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole is COc1ccc(CC2=NC(C)(C)CO2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is FCNGYVHWRGIPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2)9-16-12(14-13)8-10-4-6-11(15-3)7-5-10/h4-7H,8-9H2,1-3H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 219.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 3041213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).