2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole

C12H13NO — CID 141095214

IUPAC2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole
SMILESCc1ccc(-c2ncc(C)o2)c(C)c1
InChIInChI=1S/C12H13NO/c1-8-4-5-11(9(2)6-8)12-13-7-10(3)14-12/h4-7H,1-3H3
InChIKeySYIAGJNQUSPFSM-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.27
Rot. Bonds1

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

2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole (PubChem CID 141095214) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole
PubChem CID141095214
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole
SMILESCc1ccc(-c2ncc(C)o2)c(C)c1
InChIInChI=1S/C12H13NO/c1-8-4-5-11(9(2)6-8)12-13-7-10(3)14-12/h4-7H,1-3H3
InChIKeySYIAGJNQUSPFSM-UHFFFAOYSA-N
XLogP3.27
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenyl)-5-[(1R)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 97255195
2-(2,5-difluorophenyl)-5-methyl-1,3-oxazole
CID 172735636
2,5-bis(2,4-dimethylphenyl)furan
CID 69007867
3-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline
CID 82469943
5-(2,4-dimethylphenyl)-1,3-oxazole-2-carbaldehyde
CID 102543513
3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 55039266
4,6-dibromo-2-(2,4-dimethylphenyl)-7-methyl-1,3-benzoxazol-5-amine
CID 95910813
2-(5-methyl-1,3-oxazol-2-yl)benzonitrile
CID 84659525
5-(2,4-dimethylphenyl)-N-propan-2-ylpyrimidin-2-amine
CID 116977198
[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61323958
[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 90939332
3-(2,4-dimethylphenyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline
CID 170184396

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole?
The IUPAC name of 2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole (CID 141095214) is 2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole is Cc1ccc(-c2ncc(C)o2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole?
The InChIKey is SYIAGJNQUSPFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8-4-5-11(9(2)6-8)12-13-7-10(3)14-12/h4-7H,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole?
2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole has a molecular weight of 187.24 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 141095214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).