2-(3,4-dimethylphenyl)-5-ethyl-4-propyl-1,3-oxazole

C16H21NO — CID 143181907

IUPAC2-(3,4-dimethylphenyl)-5-ethyl-4-propyl-1,3-oxazole
SMILESCCCc1nc(-c2ccc(C)c(C)c2)oc1CC
InChIInChI=1S/C16H21NO/c1-5-7-14-15(6-2)18-16(17-14)13-9-8-11(3)12(4)10-13/h8-10H,5-7H2,1-4H3
InChIKeyMWXXQXPNMSYBAY-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.47
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-5-ethyl-4-propyl-1,3-oxazole

2-(3,4-dimethylphenyl)-5-ethyl-4-propyl-1,3-oxazole (PubChem CID 143181907) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-5-ethyl-4-propyl-1,3-oxazole.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-5-ethyl-4-propyl-1,3-oxazole
PubChem CID143181907
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-(3,4-dimethylphenyl)-5-ethyl-4-propyl-1,3-oxazole
SMILESCCCc1nc(-c2ccc(C)c(C)c2)oc1CC
InChIInChI=1S/C16H21NO/c1-5-7-14-15(6-2)18-16(17-14)13-9-8-11(3)12(4)10-13/h8-10H,5-7H2,1-4H3
InChIKeyMWXXQXPNMSYBAY-UHFFFAOYSA-N
XLogP4.47
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dimethylphenyl)-5-ethyl-4-propyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methoxy-4-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 114373410
2-[5-ethyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanol
CID 18376373
2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole
CID 59026488
[2-(4-chlorophenyl)-5-ethyl-1,3-oxazol-4-yl]methanol
CID 122476666
2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine
CID 82304478
2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole
CID 53017476
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 114373284
2-(3,4-dimethylphenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66296731
N-[[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62342943
ethyl 3-[4-[2-[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-ethylphenyl]propanoate
CID 142821085
2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole
CID 20792473
4-(3,4-dimethylphenyl)-2-methyl-5-propyl-1,3-thiazole
CID 5020924

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-5-ethyl-4-propyl-1,3-oxazole?
The IUPAC name of 2-(3,4-dimethylphenyl)-5-ethyl-4-propyl-1,3-oxazole (CID 143181907) is 2-(3,4-dimethylphenyl)-5-ethyl-4-propyl-1,3-oxazole.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-5-ethyl-4-propyl-1,3-oxazole?
The canonical SMILES for 2-(3,4-dimethylphenyl)-5-ethyl-4-propyl-1,3-oxazole is CCCc1nc(-c2ccc(C)c(C)c2)oc1CC.
What is the InChIKey of 2-(3,4-dimethylphenyl)-5-ethyl-4-propyl-1,3-oxazole?
The InChIKey is MWXXQXPNMSYBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-5-7-14-15(6-2)18-16(17-14)13-9-8-11(3)12(4)10-13/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-5-ethyl-4-propyl-1,3-oxazole?
2-(3,4-dimethylphenyl)-5-ethyl-4-propyl-1,3-oxazole has a molecular weight of 243.35 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-5-ethyl-4-propyl-1,3-oxazole is sourced from PubChem (CID 143181907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).