2-cyano-N-(1,2-oxazol-4-yl)propanamide

C7H7N3O2 — CID 62903125

IUPAC2-cyano-N-(1,2-oxazol-4-yl)propanamide
SMILESCC(C#N)C(=O)Nc1cnoc1
InChIInChI=1S/C7H7N3O2/c1-5(2-8)7(11)10-6-3-9-12-4-6/h3-5H,1H3,(H,10,11)
InChIKeyZYSAHAKSNUIHEX-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.77
Rot. Bonds2

About 2-cyano-N-(1,2-oxazol-4-yl)propanamide

2-cyano-N-(1,2-oxazol-4-yl)propanamide (PubChem CID 62903125) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2-cyano-N-(1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(1,2-oxazol-4-yl)propanamide
PubChem CID62903125
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name2-cyano-N-(1,2-oxazol-4-yl)propanamide
SMILESCC(C#N)C(=O)Nc1cnoc1
InChIInChI=1S/C7H7N3O2/c1-5(2-8)7(11)10-6-3-9-12-4-6/h3-5H,1H3,(H,10,11)
InChIKeyZYSAHAKSNUIHEX-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-methyl-N-(1,2-oxazol-4-yl)butanamide
CID 79013276
(2R)-2-amino-4-methyl-N-(1,2-oxazol-4-yl)pentanamide
CID 94893498
2-cyano-2-ethyl-N-(1,2-oxazol-4-yl)butanamide
CID 62903126
2-amino-3-methoxy-N-(1,2-oxazol-4-yl)propanamide
CID 81088554
N-(1,2-oxazol-4-yl)butanamide
CID 62416628
N-[4-(aminomethyl)phenyl]-2-cyanopropanamide
CID 82506537
2-amino-2-ethyl-N-(1,2-oxazol-4-yl)butanamide
CID 79815107
(2S)-2-amino-3-cyclopentyl-N-(1,2-oxazol-4-yl)propanamide
CID 177043206
N-(3-bromo-4-fluorophenyl)-2-cyanopropanamide
CID 115664983
3-methoxy-N-(1,2-oxazol-4-yl)propanamide
CID 130702486
N-(1,2-oxazol-4-yl)pyridine-4-carboxamide
CID 71797676
2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide
CID 107600321

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1,2-oxazol-4-yl)propanamide?
The IUPAC name of 2-cyano-N-(1,2-oxazol-4-yl)propanamide (CID 62903125) is 2-cyano-N-(1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for 2-cyano-N-(1,2-oxazol-4-yl)propanamide?
The canonical SMILES for 2-cyano-N-(1,2-oxazol-4-yl)propanamide is CC(C#N)C(=O)Nc1cnoc1.
What is the InChIKey of 2-cyano-N-(1,2-oxazol-4-yl)propanamide?
The InChIKey is ZYSAHAKSNUIHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-5(2-8)7(11)10-6-3-9-12-4-6/h3-5H,1H3,(H,10,11).
What are the key properties of 2-cyano-N-(1,2-oxazol-4-yl)propanamide?
2-cyano-N-(1,2-oxazol-4-yl)propanamide has a molecular weight of 165.15 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 62903125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).