carbon dioxide;3-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-5-(2,2-dimethylpropyl)-1,2-oxazole

C17H22N2O3S — CID 161323243

IUPACcarbon dioxide;3-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-5-(2,2-dimethylpropyl)-1,2-oxazole
SMILESCC(C)(C)Cc1cc(-c2nc(CC3CCC3)cs2)no1.O=C=O
InChIInChI=1S/C16H22N2OS.CO2/c1-16(2,3)9-13-8-14(18-19-13)15-17-12(10-20-15)7-11-5-4-6-11;2-1-3/h8,10-11H,4-7,9H2,1-3H3;
InChIKeyVKKSLAZLICBKGP-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.15
Rot. Bonds4

About carbon dioxide;3-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-5-(2,2-dimethylpropyl)-1,2-oxazole

carbon dioxide;3-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-5-(2,2-dimethylpropyl)-1,2-oxazole (PubChem CID 161323243) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is carbon dioxide;3-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-5-(2,2-dimethylpropyl)-1,2-oxazole.

Molecular Properties

Compound Namecarbon dioxide;3-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-5-(2,2-dimethylpropyl)-1,2-oxazole
PubChem CID161323243
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Namecarbon dioxide;3-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-5-(2,2-dimethylpropyl)-1,2-oxazole
SMILESCC(C)(C)Cc1cc(-c2nc(CC3CCC3)cs2)no1.O=C=O
InChIInChI=1S/C16H22N2OS.CO2/c1-16(2,3)9-13-8-14(18-19-13)15-17-12(10-20-15)7-11-5-4-6-11;2-1-3/h8,10-11H,4-7,9H2,1-3H3;
InChIKeyVKKSLAZLICBKGP-UHFFFAOYSA-N
XLogP4.15
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;3-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-5-(2,2-dimethylpropyl)-1,2-oxazole?
The IUPAC name of carbon dioxide;3-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-5-(2,2-dimethylpropyl)-1,2-oxazole (CID 161323243) is carbon dioxide;3-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-5-(2,2-dimethylpropyl)-1,2-oxazole.
What is the SMILES notation for carbon dioxide;3-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-5-(2,2-dimethylpropyl)-1,2-oxazole?
The canonical SMILES for carbon dioxide;3-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-5-(2,2-dimethylpropyl)-1,2-oxazole is CC(C)(C)Cc1cc(-c2nc(CC3CCC3)cs2)no1.O=C=O.
What is the InChIKey of carbon dioxide;3-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-5-(2,2-dimethylpropyl)-1,2-oxazole?
The InChIKey is VKKSLAZLICBKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS.CO2/c1-16(2,3)9-13-8-14(18-19-13)15-17-12(10-20-15)7-11-5-4-6-11;2-1-3/h8,10-11H,4-7,9H2,1-3H3;.
What are the key properties of carbon dioxide;3-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-5-(2,2-dimethylpropyl)-1,2-oxazole?
carbon dioxide;3-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-5-(2,2-dimethylpropyl)-1,2-oxazole has a molecular weight of 334.44 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;3-[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]-5-(2,2-dimethylpropyl)-1,2-oxazole is sourced from PubChem (CID 161323243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).