(E)-N-hydroxy-3-[3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]phenyl]prop-2-enamide

C14H15N3O3 — CID 139377779

IUPAC(E)-N-hydroxy-3-[3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]phenyl]prop-2-enamide
SMILESCc1coc(NCc2cccc(/C=C/C(=O)NO)c2)n1
InChIInChI=1S/C14H15N3O3/c1-10-9-20-14(16-10)15-8-12-4-2-3-11(7-12)5-6-13(18)17-19/h2-7,9,19H,8H2,1H3,(H,15,16)(H,17,18)/b6-5+
InChIKeyBCROSZAZIXHPDC-AATRIKPKSA-N
MW273.29 g/mol
LogP2.11
Rot. Bonds5

About (E)-N-hydroxy-3-[3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]phenyl]prop-2-enamide (PubChem CID 139377779) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]phenyl]prop-2-enamide
PubChem CID139377779
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(E)-N-hydroxy-3-[3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]phenyl]prop-2-enamide
SMILESCc1coc(NCc2cccc(/C=C/C(=O)NO)c2)n1
InChIInChI=1S/C14H15N3O3/c1-10-9-20-14(16-10)15-8-12-4-2-3-11(7-12)5-6-13(18)17-19/h2-7,9,19H,8H2,1H3,(H,15,16)(H,17,18)/b6-5+
InChIKeyBCROSZAZIXHPDC-AATRIKPKSA-N
XLogP2.11
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]phenyl]prop-2-enamide (CID 139377779) is (E)-N-hydroxy-3-[3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]phenyl]prop-2-enamide is Cc1coc(NCc2cccc(/C=C/C(=O)NO)c2)n1.
What is the InChIKey of (E)-N-hydroxy-3-[3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]phenyl]prop-2-enamide?
The InChIKey is BCROSZAZIXHPDC-AATRIKPKSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-9-20-14(16-10)15-8-12-4-2-3-11(7-12)5-6-13(18)17-19/h2-7,9,19H,8H2,1H3,(H,15,16)(H,17,18)/b6-5+.
What are the key properties of (E)-N-hydroxy-3-[3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]phenyl]prop-2-enamide has a molecular weight of 273.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[3-[[(4-methyl-1,3-oxazol-2-yl)amino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 139377779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).