N-(2-cyanopropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide

C9H11N3O3 — CID 100685116

IUPACN-(2-cyanopropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC(C)(C)C#N)on1
InChIInChI=1S/C9H11N3O3/c1-9(2,5-10)11-8(13)6-4-7(14-3)12-15-6/h4H,1-3H3,(H,11,13)
InChIKeyRJZSUUUGHZFKFG-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.72
Rot. Bonds3

About N-(2-cyanopropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide

N-(2-cyanopropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 100685116) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide
PubChem CID100685116
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC NameN-(2-cyanopropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC(C)(C)C#N)on1
InChIInChI=1S/C9H11N3O3/c1-9(2,5-10)11-8(13)6-4-7(14-3)12-15-6/h4H,1-3H3,(H,11,13)
InChIKeyRJZSUUUGHZFKFG-UHFFFAOYSA-N
XLogP0.72
TPSA88.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide (CID 100685116) is N-(2-cyanopropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NC(C)(C)C#N)on1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide?
The InChIKey is RJZSUUUGHZFKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-9(2,5-10)11-8(13)6-4-7(14-3)12-15-6/h4H,1-3H3,(H,11,13).
What are the key properties of N-(2-cyanopropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide?
N-(2-cyanopropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 209.20 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 100685116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).