4-[4-(1,2-oxazol-5-yl)phenyl]but-3-enamide

C13H12N2O2 — CID 170798671

IUPAC4-[4-(1,2-oxazol-5-yl)phenyl]but-3-enamide
SMILESNC(=O)CC=Cc1ccc(-c2ccno2)cc1
InChIInChI=1S/C13H12N2O2/c14-13(16)3-1-2-10-4-6-11(7-5-10)12-8-9-15-17-12/h1-2,4-9H,3H2,(H2,14,16)
InChIKeyLNISABNIGBJBGT-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.23
Rot. Bonds4

About 4-[4-(1,2-oxazol-5-yl)phenyl]but-3-enamide

4-[4-(1,2-oxazol-5-yl)phenyl]but-3-enamide (PubChem CID 170798671) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-[4-(1,2-oxazol-5-yl)phenyl]but-3-enamide.

Molecular Properties

Compound Name4-[4-(1,2-oxazol-5-yl)phenyl]but-3-enamide
PubChem CID170798671
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name4-[4-(1,2-oxazol-5-yl)phenyl]but-3-enamide
SMILESNC(=O)CC=Cc1ccc(-c2ccno2)cc1
InChIInChI=1S/C13H12N2O2/c14-13(16)3-1-2-10-4-6-11(7-5-10)12-8-9-15-17-12/h1-2,4-9H,3H2,(H2,14,16)
InChIKeyLNISABNIGBJBGT-UHFFFAOYSA-N
XLogP2.23
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(1,2-oxazol-5-yl)phenyl]but-3-ene-1-thiol
CID 170479089
(E)-4-(4-fluorophenyl)but-3-enamide
CID 101344371
4-(4-hydrazinylphenyl)but-3-enamide
CID 170797562
4-(4-tert-butylphenyl)but-3-enamide
CID 170798132
4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide
CID 170798274
4-(4-propan-2-ylphenyl)but-3-enamide
CID 170797717
5-(4-methylphenyl)-1,2-oxazole;oxalic acid
CID 19013351
4-(6-chloro-3-pyridinyl)but-3-enamide
CID 170797349
4-(4-prop-1-en-2-ylphenyl)but-3-enamide
CID 170797716
(E)-4-pyridin-3-ylbut-3-enamide
CID 141387555
4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]but-3-enamide
CID 170798712
4-[4-(2-cyanoacetyl)phenyl]but-3-enamide
CID 170798579

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,2-oxazol-5-yl)phenyl]but-3-enamide?
The IUPAC name of 4-[4-(1,2-oxazol-5-yl)phenyl]but-3-enamide (CID 170798671) is 4-[4-(1,2-oxazol-5-yl)phenyl]but-3-enamide.
What is the SMILES notation for 4-[4-(1,2-oxazol-5-yl)phenyl]but-3-enamide?
The canonical SMILES for 4-[4-(1,2-oxazol-5-yl)phenyl]but-3-enamide is NC(=O)CC=Cc1ccc(-c2ccno2)cc1.
What is the InChIKey of 4-[4-(1,2-oxazol-5-yl)phenyl]but-3-enamide?
The InChIKey is LNISABNIGBJBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c14-13(16)3-1-2-10-4-6-11(7-5-10)12-8-9-15-17-12/h1-2,4-9H,3H2,(H2,14,16).
What are the key properties of 4-[4-(1,2-oxazol-5-yl)phenyl]but-3-enamide?
4-[4-(1,2-oxazol-5-yl)phenyl]but-3-enamide has a molecular weight of 228.25 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,2-oxazol-5-yl)phenyl]but-3-enamide is sourced from PubChem (CID 170798671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).