2,4-dimethyl-5-(2-methylphenyl)-1,3-oxazole

C12H13NO — CID 82125407

IUPAC2,4-dimethyl-5-(2-methylphenyl)-1,3-oxazole
SMILESCc1nc(C)c(-c2ccccc2C)o1
InChIInChI=1S/C12H13NO/c1-8-6-4-5-7-11(8)12-9(2)13-10(3)14-12/h4-7H,1-3H3
InChIKeyHWQBJXHZSXUSGX-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.27
Rot. Bonds1

About 2,4-dimethyl-5-(2-methylphenyl)-1,3-oxazole

2,4-dimethyl-5-(2-methylphenyl)-1,3-oxazole (PubChem CID 82125407) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2,4-dimethyl-5-(2-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2,4-dimethyl-5-(2-methylphenyl)-1,3-oxazole
PubChem CID82125407
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2,4-dimethyl-5-(2-methylphenyl)-1,3-oxazole
SMILESCc1nc(C)c(-c2ccccc2C)o1
InChIInChI=1S/C12H13NO/c1-8-6-4-5-7-11(8)12-9(2)13-10(3)14-12/h4-7H,1-3H3
InChIKeyHWQBJXHZSXUSGX-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

4-methyl-5-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde
CID 105453415
1,3-bis(2-methylphenyl)-2-benzofuran
CID 59096365
5-[6-[10-[10-[6-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole
CID 163534559
3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane
CID 145320903
CID 174747854
CID 174747854
1,2-xylene
CID 173422016
5-(2-fluorophenyl)-4-methyl-1,3-oxazol-2-amine
CID 114834343
4,5-bis(2-methylphenyl)oxadiazole
CID 21443592
2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium
CID 123379683
5-methyl-4-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde
CID 105453412
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
5-[5-[10-[10-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole
CID 146856580

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(2-methylphenyl)-1,3-oxazole?
The IUPAC name of 2,4-dimethyl-5-(2-methylphenyl)-1,3-oxazole (CID 82125407) is 2,4-dimethyl-5-(2-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 2,4-dimethyl-5-(2-methylphenyl)-1,3-oxazole?
The canonical SMILES for 2,4-dimethyl-5-(2-methylphenyl)-1,3-oxazole is Cc1nc(C)c(-c2ccccc2C)o1.
What is the InChIKey of 2,4-dimethyl-5-(2-methylphenyl)-1,3-oxazole?
The InChIKey is HWQBJXHZSXUSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8-6-4-5-7-11(8)12-9(2)13-10(3)14-12/h4-7H,1-3H3.
What are the key properties of 2,4-dimethyl-5-(2-methylphenyl)-1,3-oxazole?
2,4-dimethyl-5-(2-methylphenyl)-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 2,4-dimethyl-5-(2-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 82125407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).