ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole

C15H21NO — CID 142936013

IUPACethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole
SMILESCC.CCc1nc(-c2ccc(C)cc2)oc1C
InChIInChI=1S/C13H15NO.C2H6/c1-4-12-10(3)15-13(14-12)11-7-5-9(2)6-8-11;1-2/h5-8H,4H2,1-3H3;1-2H3
InChIKeyBXOLNTPAYRIBIC-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.55
Rot. Bonds2

About ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole

ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole (PubChem CID 142936013) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Nameethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole
PubChem CID142936013
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Nameethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole
SMILESCC.CCc1nc(-c2ccc(C)cc2)oc1C
InChIInChI=1S/C13H15NO.C2H6/c1-4-12-10(3)15-13(14-12)11-7-5-9(2)6-8-11;1-2/h5-8H,4H2,1-3H3;1-2H3
InChIKeyBXOLNTPAYRIBIC-UHFFFAOYSA-N
XLogP4.55
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-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

4-ethyl-5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazole
CID 142936111
ethane;4-ethyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 142936057
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 46344053
4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole
CID 91508393
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium
CID 24742720
1-[4-ethyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-one
CID 134856857
2-[[4-(4-ethyl-5-methyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340516
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium chloride
CID 24742719
2-(4-bromophenyl)-4-(2-iodoethyl)-5-methyl-1,3-oxazole
CID 58951394
2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole
CID 59026488
chloro-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-triphenyl-λ5-phosphane
CID 140519078
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]acetamide
CID 110415002

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole (CID 142936013) is ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole is CC.CCc1nc(-c2ccc(C)cc2)oc1C.
What is the InChIKey of ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole?
The InChIKey is BXOLNTPAYRIBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.C2H6/c1-4-12-10(3)15-13(14-12)11-7-5-9(2)6-8-11;1-2/h5-8H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole?
ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole has a molecular weight of 231.34 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 142936013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).