ethyl 3,3-dimethyl-5-(2-phenyl-1,3-oxazol-4-yl)pentanoate

C18H23NO3 — CID 160527947

IUPACethyl 3,3-dimethyl-5-(2-phenyl-1,3-oxazol-4-yl)pentanoate
SMILESCCOC(=O)CC(C)(C)CCc1coc(-c2ccccc2)n1
InChIInChI=1S/C18H23NO3/c1-4-21-16(20)12-18(2,3)11-10-15-13-22-17(19-15)14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3
InChIKeyQVDRXZUNDLQMIU-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.25
Rot. Bonds7

About ethyl 3,3-dimethyl-5-(2-phenyl-1,3-oxazol-4-yl)pentanoate

ethyl 3,3-dimethyl-5-(2-phenyl-1,3-oxazol-4-yl)pentanoate (PubChem CID 160527947) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is ethyl 3,3-dimethyl-5-(2-phenyl-1,3-oxazol-4-yl)pentanoate.

Molecular Properties

Compound Nameethyl 3,3-dimethyl-5-(2-phenyl-1,3-oxazol-4-yl)pentanoate
PubChem CID160527947
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Nameethyl 3,3-dimethyl-5-(2-phenyl-1,3-oxazol-4-yl)pentanoate
SMILESCCOC(=O)CC(C)(C)CCc1coc(-c2ccccc2)n1
InChIInChI=1S/C18H23NO3/c1-4-21-16(20)12-18(2,3)11-10-15-13-22-17(19-15)14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3
InChIKeyQVDRXZUNDLQMIU-UHFFFAOYSA-N
XLogP4.25
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335
2-phenyl-4-propyl-1,3-oxazole
CID 23537835
N-(4-ethoxyphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34802338
(2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate
CID 31718301
2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propanoic acid
CID 81223346
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449308
ethyl 3,3-dimethyl-5-(4-methylphenyl)pentanoate
CID 158053687
[4-[4-(2-ethoxy-2-oxoethyl)-1,3-oxazol-2-yl]phenyl] sulfite
CID 163906316
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
CID 164836493
ethyl 1-[(2-phenyl-1,3-oxazol-4-yl)methyl]indole-2-carboxylate
CID 58307058
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 110001098
N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 55629856

Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-dimethyl-5-(2-phenyl-1,3-oxazol-4-yl)pentanoate?
The IUPAC name of ethyl 3,3-dimethyl-5-(2-phenyl-1,3-oxazol-4-yl)pentanoate (CID 160527947) is ethyl 3,3-dimethyl-5-(2-phenyl-1,3-oxazol-4-yl)pentanoate.
What is the SMILES notation for ethyl 3,3-dimethyl-5-(2-phenyl-1,3-oxazol-4-yl)pentanoate?
The canonical SMILES for ethyl 3,3-dimethyl-5-(2-phenyl-1,3-oxazol-4-yl)pentanoate is CCOC(=O)CC(C)(C)CCc1coc(-c2ccccc2)n1.
What is the InChIKey of ethyl 3,3-dimethyl-5-(2-phenyl-1,3-oxazol-4-yl)pentanoate?
The InChIKey is QVDRXZUNDLQMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-4-21-16(20)12-18(2,3)11-10-15-13-22-17(19-15)14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3.
What are the key properties of ethyl 3,3-dimethyl-5-(2-phenyl-1,3-oxazol-4-yl)pentanoate?
ethyl 3,3-dimethyl-5-(2-phenyl-1,3-oxazol-4-yl)pentanoate has a molecular weight of 301.39 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-dimethyl-5-(2-phenyl-1,3-oxazol-4-yl)pentanoate is sourced from PubChem (CID 160527947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).