2-(tert-butylamino)-2-(1,3-oxazol-2-yl)acetonitrile

C9H13N3O — CID 20825352

IUPAC2-(tert-butylamino)-2-(1,3-oxazol-2-yl)acetonitrile
SMILESCC(C)(C)NC(C#N)c1ncco1
InChIInChI=1S/C9H13N3O/c1-9(2,3)12-7(6-10)8-11-4-5-13-8/h4-5,7,12H,1-3H3
InChIKeyBQKWULIKYORQIE-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.63
Rot. Bonds2

About 2-(tert-butylamino)-2-(1,3-oxazol-2-yl)acetonitrile

2-(tert-butylamino)-2-(1,3-oxazol-2-yl)acetonitrile (PubChem CID 20825352) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(tert-butylamino)-2-(1,3-oxazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(tert-butylamino)-2-(1,3-oxazol-2-yl)acetonitrile
PubChem CID20825352
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(tert-butylamino)-2-(1,3-oxazol-2-yl)acetonitrile
SMILESCC(C)(C)NC(C#N)c1ncco1
InChIInChI=1S/C9H13N3O/c1-9(2,3)12-7(6-10)8-11-4-5-13-8/h4-5,7,12H,1-3H3
InChIKeyBQKWULIKYORQIE-UHFFFAOYSA-N
XLogP1.63
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-Oxazol-2-yl)ethan-1-amine
CID 19896984
(1,3-Oxazol-2-yl)acetonitrile
CID 20562996
2,2,2-Trifluoro-1-(1,3-oxazol-2-yl)ethan-1-amine hydrochloride
CID 165985158
2,2,2-Trifluoro-1-(oxazol-2-yl)ethan-1-aminium chloride
CID 168474933
t-Butyl [2,2,2-trifluoro-1-(oxazol-2-yl)ethyl]carbamate
CID 168475031
2-Aminopropyloxazole
CID 82418805
3,3,3-Trifluoro-1-(1,3-oxazol-2-yl)propan-1-amine
CID 82409262
2,2,2-Trifluoro-1-(1,3-oxazol-2-yl)ethan-1-amine
CID 165985156
6-(Methylamino)-4-(1,3-oxazol-2-ylmethyl)-1,4-oxazepan-5-one
CID 20590191
N-(1,3-oxazol-2-ylmethyl)-2-oxoacetamide
CID 21031069
N-Methyl-1-(oxazol-2-YL)methanamine
CID 21255525
2-Amino-2-(1,3-oxazol-2-yl)acetonitrile
CID 22329351

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-2-(1,3-oxazol-2-yl)acetonitrile?
The IUPAC name of 2-(tert-butylamino)-2-(1,3-oxazol-2-yl)acetonitrile (CID 20825352) is 2-(tert-butylamino)-2-(1,3-oxazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(tert-butylamino)-2-(1,3-oxazol-2-yl)acetonitrile?
The canonical SMILES for 2-(tert-butylamino)-2-(1,3-oxazol-2-yl)acetonitrile is CC(C)(C)NC(C#N)c1ncco1.
What is the InChIKey of 2-(tert-butylamino)-2-(1,3-oxazol-2-yl)acetonitrile?
The InChIKey is BQKWULIKYORQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-9(2,3)12-7(6-10)8-11-4-5-13-8/h4-5,7,12H,1-3H3.
What are the key properties of 2-(tert-butylamino)-2-(1,3-oxazol-2-yl)acetonitrile?
2-(tert-butylamino)-2-(1,3-oxazol-2-yl)acetonitrile has a molecular weight of 179.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-2-(1,3-oxazol-2-yl)acetonitrile is sourced from PubChem (CID 20825352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).