N-(1-cyanoethyl)-1,3-oxazole-5-carboxamide

C7H7N3O2 — CID 130627822

IUPACN-(1-cyanoethyl)-1,3-oxazole-5-carboxamide
SMILESCC(C#N)NC(=O)c1cnco1
InChIInChI=1S/C7H7N3O2/c1-5(2-8)10-7(11)6-3-9-4-12-6/h3-5H,1H3,(H,10,11)
InChIKeyBFWOETRBCVRTFB-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.32
Rot. Bonds2

About N-(1-cyanoethyl)-1,3-oxazole-5-carboxamide

N-(1-cyanoethyl)-1,3-oxazole-5-carboxamide (PubChem CID 130627822) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is N-(1-cyanoethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-1,3-oxazole-5-carboxamide
PubChem CID130627822
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC NameN-(1-cyanoethyl)-1,3-oxazole-5-carboxamide
SMILESCC(C#N)NC(=O)c1cnco1
InChIInChI=1S/C7H7N3O2/c1-5(2-8)10-7(11)6-3-9-4-12-6/h3-5H,1H3,(H,10,11)
InChIKeyBFWOETRBCVRTFB-UHFFFAOYSA-N
XLogP0.32
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(1-cyanoethyl)-1,3-oxazole-5-carboxamide (CID 130627822) is N-(1-cyanoethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-cyanoethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(1-cyanoethyl)-1,3-oxazole-5-carboxamide is CC(C#N)NC(=O)c1cnco1.
What is the InChIKey of N-(1-cyanoethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is BFWOETRBCVRTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-5(2-8)10-7(11)6-3-9-4-12-6/h3-5H,1H3,(H,10,11).
What are the key properties of N-(1-cyanoethyl)-1,3-oxazole-5-carboxamide?
N-(1-cyanoethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 165.15 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 130627822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).