tert-butylbenzene;2,2-dimethylpropane;1,2-oxazole

C18H29NO — CID 158282255

IUPACtert-butylbenzene;2,2-dimethylpropane;1,2-oxazole
SMILESCC(C)(C)C.CC(C)(C)c1ccccc1.c1cnoc1
InChIInChI=1S/C10H14.C5H12.C3H3NO/c1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4;1-2-4-5-3-1/h4-8H,1-3H3;1-4H3;1-3H
InChIKeyGKITXDOITWOLNA-UHFFFAOYSA-N
MW275.44 g/mol
LogP5.71
Rot. Bonds

About tert-butylbenzene;2,2-dimethylpropane;1,2-oxazole

tert-butylbenzene;2,2-dimethylpropane;1,2-oxazole (PubChem CID 158282255) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is tert-butylbenzene;2,2-dimethylpropane;1,2-oxazole.

Molecular Properties

Compound Nametert-butylbenzene;2,2-dimethylpropane;1,2-oxazole
PubChem CID158282255
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Nametert-butylbenzene;2,2-dimethylpropane;1,2-oxazole
SMILESCC(C)(C)C.CC(C)(C)c1ccccc1.c1cnoc1
InChIInChI=1S/C10H14.C5H12.C3H3NO/c1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4;1-2-4-5-3-1/h4-8H,1-3H3;1-4H3;1-3H
InChIKeyGKITXDOITWOLNA-UHFFFAOYSA-N
XLogP5.71
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.44
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 158670454
methanamine;1,2-oxazole
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CID 171375456
CID 171375456
tert-butylbenzene;chloromethane;ethane
CID 91149652
tert-butylbenzene;molecular nitrogen
CID 146464751
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tert-butylbenzene;methanimine
CID 174908280
tert-butylbenzene;N,N-dimethylmethanamine;ethane
CID 158234617
boric acid;1,2-oxazole
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Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;2,2-dimethylpropane;1,2-oxazole?
The IUPAC name of tert-butylbenzene;2,2-dimethylpropane;1,2-oxazole (CID 158282255) is tert-butylbenzene;2,2-dimethylpropane;1,2-oxazole.
What is the SMILES notation for tert-butylbenzene;2,2-dimethylpropane;1,2-oxazole?
The canonical SMILES for tert-butylbenzene;2,2-dimethylpropane;1,2-oxazole is CC(C)(C)C.CC(C)(C)c1ccccc1.c1cnoc1.
What is the InChIKey of tert-butylbenzene;2,2-dimethylpropane;1,2-oxazole?
The InChIKey is GKITXDOITWOLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C5H12.C3H3NO/c1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4;1-2-4-5-3-1/h4-8H,1-3H3;1-4H3;1-3H.
What are the key properties of tert-butylbenzene;2,2-dimethylpropane;1,2-oxazole?
tert-butylbenzene;2,2-dimethylpropane;1,2-oxazole has a molecular weight of 275.44 g/mol, XLogP of 5.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;2,2-dimethylpropane;1,2-oxazole is sourced from PubChem (CID 158282255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).