1-[4-ethyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-one

C15H17NO2 — CID 134856857

IUPAC1-[4-ethyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-one
SMILESCCc1nc(-c2ccc(C)cc2)oc1CC(C)=O
InChIInChI=1S/C15H17NO2/c1-4-13-14(9-11(3)17)18-15(16-13)12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3
InChIKeyBGLLOWQCSUOCOO-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.34
Rot. Bonds4

About 1-[4-ethyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-one

1-[4-ethyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-one (PubChem CID 134856857) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[4-ethyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-ethyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-one
PubChem CID134856857
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-[4-ethyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-one
SMILESCCc1nc(-c2ccc(C)cc2)oc1CC(C)=O
InChIInChI=1S/C15H17NO2/c1-4-13-14(9-11(3)17)18-15(16-13)12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3
InChIKeyBGLLOWQCSUOCOO-UHFFFAOYSA-N
XLogP3.34
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 142936013
[2-(4-chlorophenyl)-5-ethyl-1,3-oxazol-4-yl]methanol
CID 122476666
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]acetamide
CID 110415002
2-[5-ethyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanol
CID 18376373
[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+)
CID 145086257
N-(cyclopentylmethyl)-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110627528
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 46344053
1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylamino]propan-2-one
CID 142936134
1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]pentan-2-one
CID 157392468
[4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]phenyl] acetate
CID 69217279
2-[[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 11589732
3-[(1R,3S)-3-[[5-ethyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxy-2-methoxypropanoic acid
CID 59659289

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-one?
The IUPAC name of 1-[4-ethyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-one (CID 134856857) is 1-[4-ethyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-one.
What is the SMILES notation for 1-[4-ethyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-one?
The canonical SMILES for 1-[4-ethyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-one is CCc1nc(-c2ccc(C)cc2)oc1CC(C)=O.
What is the InChIKey of 1-[4-ethyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-one?
The InChIKey is BGLLOWQCSUOCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-4-13-14(9-11(3)17)18-15(16-13)12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3.
What are the key properties of 1-[4-ethyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-one?
1-[4-ethyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-one has a molecular weight of 243.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-one is sourced from PubChem (CID 134856857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).