2-(2-hydroxypropan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carbonitrile

C10H14N2O2 — CID 169163366

IUPAC2-(2-hydroxypropan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carbonitrile
SMILESCC(C)c1oc(C(C)(C)O)nc1C#N
InChIInChI=1S/C10H14N2O2/c1-6(2)8-7(5-11)12-9(14-8)10(3,4)13/h6,13H,1-4H3
InChIKeyYAMDUPNNWPSNKS-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.90
Rot. Bonds2

About 2-(2-hydroxypropan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carbonitrile

2-(2-hydroxypropan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 169163366) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID169163366
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(2-hydroxypropan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carbonitrile
SMILESCC(C)c1oc(C(C)(C)O)nc1C#N
InChIInChI=1S/C10H14N2O2/c1-6(2)8-7(5-11)12-9(14-8)10(3,4)13/h6,13H,1-4H3
InChIKeyYAMDUPNNWPSNKS-UHFFFAOYSA-N
XLogP1.90
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-5-chloro-1,3-oxazole-4-carbonitrile
CID 137347408
5-amino-6-propan-2-ylpyrazine-2,3-dicarbonitrile
CID 53406964
5-chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile
CID 86170280
5-(ethylamino)-2-prop-1-en-2-yl-1,3-oxazole-4-carbonitrile
CID 34924759
5-iodo-2-(trifluoromethyl)-1,3-oxazole-4-carbonitrile
CID 135394322
(2R)-2-hydroxy-2,3-dimethylbutanenitrile
CID 12650901
2-(4-bromo-5-methyliodanuidyl-1,3-oxazol-2-yl)propan-2-ol
CID 169165895
5-amino-2-(3-methylbutan-2-yl)-1,3-oxazole-4-carbonitrile
CID 66010529
2-tert-butyl-5-[2-[[4-(propan-2-yloxymethyl)phenyl]methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 170983638
2-tert-butyl-5-[[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-1,3-oxazole-4-carbonitrile
CID 35043823
2,3-di(propan-2-yloxy)pyrazino[2,3-b]pyrazine-6,7-dicarbonitrile
CID 15027060
6-methoxy-3-propan-2-ylpyridine-2-carbonitrile
CID 167457221

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carbonitrile (CID 169163366) is 2-(2-hydroxypropan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carbonitrile is CC(C)c1oc(C(C)(C)O)nc1C#N.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is YAMDUPNNWPSNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6(2)8-7(5-11)12-9(14-8)10(3,4)13/h6,13H,1-4H3.
What are the key properties of 2-(2-hydroxypropan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carbonitrile?
2-(2-hydroxypropan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 194.23 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 169163366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).