5-(4-ethylphenyl)-4-methyl-1,3-oxazole

C12H13NO — CID 82125408

IUPAC5-(4-ethylphenyl)-4-methyl-1,3-oxazole
SMILESCCc1ccc(-c2ocnc2C)cc1
InChIInChI=1S/C12H13NO/c1-3-10-4-6-11(7-5-10)12-9(2)13-8-14-12/h4-8H,3H2,1-2H3
InChIKeyUZVHZPVYIXIEKQ-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.21
Rot. Bonds2

About 5-(4-ethylphenyl)-4-methyl-1,3-oxazole

5-(4-ethylphenyl)-4-methyl-1,3-oxazole (PubChem CID 82125408) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-(4-ethylphenyl)-4-methyl-1,3-oxazole
PubChem CID82125408
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name5-(4-ethylphenyl)-4-methyl-1,3-oxazole
SMILESCCc1ccc(-c2ocnc2C)cc1
InChIInChI=1S/C12H13NO/c1-3-10-4-6-11(7-5-10)12-9(2)13-8-14-12/h4-8H,3H2,1-2H3
InChIKeyUZVHZPVYIXIEKQ-UHFFFAOYSA-N
XLogP3.21
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methyl-1,3-oxazol-5-yl)benzaldehyde
CID 83483323
(2R)-2-amino-2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethanol
CID 171604295
5-(3-fluorophenyl)-4-methyl-1,3-oxazole
CID 67982828
(2S)-2-N-[[4-(5-fluoropyrimidin-2-yl)phenyl]methyl]-1-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]propane-1,2-diamine
CID 121398055
ethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 170887366
(2S)-1-methyl-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 146358192
2-(1-chloroethyl)-5-(4-ethylphenyl)-4-methyl-1,3-oxazole
CID 43310151
1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene
CID 163605506
1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
CID 23525828
(1R)-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-2-morpholin-4-ylethanamine
CID 171105521
4-(4-ethylphenyl)-3-methyl-1,2-oxazole
CID 89297877
ethane;5-(4-ethylphenyl)-2-methylpyridine
CID 143418091

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-4-methyl-1,3-oxazole?
The IUPAC name of 5-(4-ethylphenyl)-4-methyl-1,3-oxazole (CID 82125408) is 5-(4-ethylphenyl)-4-methyl-1,3-oxazole.
What is the SMILES notation for 5-(4-ethylphenyl)-4-methyl-1,3-oxazole?
The canonical SMILES for 5-(4-ethylphenyl)-4-methyl-1,3-oxazole is CCc1ccc(-c2ocnc2C)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-4-methyl-1,3-oxazole?
The InChIKey is UZVHZPVYIXIEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-10-4-6-11(7-5-10)12-9(2)13-8-14-12/h4-8H,3H2,1-2H3.
What are the key properties of 5-(4-ethylphenyl)-4-methyl-1,3-oxazole?
5-(4-ethylphenyl)-4-methyl-1,3-oxazole has a molecular weight of 187.24 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-4-methyl-1,3-oxazole is sourced from PubChem (CID 82125408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).