N-hydroxy-4-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]butanamide

C15H16N2O3 — CID 153406876

IUPACN-hydroxy-4-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]butanamide
SMILESO=C(CCCc1coc(/C=C/c2ccccc2)n1)NO
InChIInChI=1S/C15H16N2O3/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+
InChIKeyAARDTWHDYSHPMD-MDZDMXLPSA-N
MW272.30 g/mol
LogP2.67
Rot. Bonds6

About N-hydroxy-4-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]butanamide

N-hydroxy-4-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]butanamide (PubChem CID 153406876) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-hydroxy-4-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]butanamide.

Molecular Properties

Compound NameN-hydroxy-4-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]butanamide
PubChem CID153406876
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-hydroxy-4-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]butanamide
SMILESO=C(CCCc1coc(/C=C/c2ccccc2)n1)NO
InChIInChI=1S/C15H16N2O3/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+
InChIKeyAARDTWHDYSHPMD-MDZDMXLPSA-N
XLogP2.67
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl acetate
CID 102529485
ethyl 2-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
CID 58334161
2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol
CID 54126374
2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carboxamide
CID 11117394
2-[(E)-2-phenylethenyl]-4-[(4-propylphenoxy)methyl]-1,3-oxazole
CID 173184404
[2-[(E)-2-pyridin-4-ylethenyl]-1,3-oxazol-4-yl]methanol
CID 142575704
ethane;3-ethylphenol;4-ethyl-2-(2-phenylethenyl)-1,3-oxazole;methane
CID 158075817
[2-ethyl-5-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl] methanesulfonate
CID 142642853
4-hydroxy-5-[2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-thiazol-2-one
CID 54092892
N-hydroxy-6-[[(Z)-3-phenylprop-2-enoyl]amino]hexanamide
CID 87214827
4-(chloromethyl)-2-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]-1,3-oxazole
CID 69070505
N-hydroxy-6-(5-methyl-4-phenyl-1,3-oxazol-2-yl)hexanamide
CID 11616233

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]butanamide?
The IUPAC name of N-hydroxy-4-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]butanamide (CID 153406876) is N-hydroxy-4-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]butanamide.
What is the SMILES notation for N-hydroxy-4-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]butanamide?
The canonical SMILES for N-hydroxy-4-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]butanamide is O=C(CCCc1coc(/C=C/c2ccccc2)n1)NO.
What is the InChIKey of N-hydroxy-4-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]butanamide?
The InChIKey is AARDTWHDYSHPMD-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+.
What are the key properties of N-hydroxy-4-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]butanamide?
N-hydroxy-4-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]butanamide has a molecular weight of 272.30 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]butanamide is sourced from PubChem (CID 153406876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).