[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate

C18H18N2O3S — CID 2746459

IUPAC[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1nc(-c2cc(-c3ccccc3)no2)cs1
InChIInChI=1S/C18H18N2O3S/c1-18(2,3)17(21)22-10-16-19-14(11-24-16)15-9-13(20-23-15)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3
InChIKeyRMFXHHSKBYAWOC-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.55
Rot. Bonds4

About [4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate

[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 2746459) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is [4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID2746459
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1nc(-c2cc(-c3ccccc3)no2)cs1
InChIInChI=1S/C18H18N2O3S/c1-18(2,3)17(21)22-10-16-19-14(11-24-16)15-9-13(20-23-15)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3
InChIKeyRMFXHHSKBYAWOC-UHFFFAOYSA-N
XLogP4.55
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate (CID 2746459) is [4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCc1nc(-c2cc(-c3ccccc3)no2)cs1.
What is the InChIKey of [4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is RMFXHHSKBYAWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-18(2,3)17(21)22-10-16-19-14(11-24-16)15-9-13(20-23-15)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3.
What are the key properties of [4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate?
[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 342.42 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 2746459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).