(E)-3-(1,3-benzoxazol-2-yl)-N-hydroxyprop-2-enamide

C10H8N2O3 — CID 10241991

IUPAC(E)-3-(1,3-benzoxazol-2-yl)-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1nc2ccccc2o1)NO
InChIInChI=1S/C10H8N2O3/c13-9(12-14)5-6-10-11-7-3-1-2-4-8(7)15-10/h1-6,14H,(H,12,13)/b6-5+
InChIKeyOVZSMRXHKVRXFD-AATRIKPKSA-N
MW204.19 g/mol
LogP1.35
Rot. Bonds2

About (E)-3-(1,3-benzoxazol-2-yl)-N-hydroxyprop-2-enamide

(E)-3-(1,3-benzoxazol-2-yl)-N-hydroxyprop-2-enamide (PubChem CID 10241991) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is (E)-3-(1,3-benzoxazol-2-yl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-benzoxazol-2-yl)-N-hydroxyprop-2-enamide
PubChem CID10241991
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name(E)-3-(1,3-benzoxazol-2-yl)-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1nc2ccccc2o1)NO
InChIInChI=1S/C10H8N2O3/c13-9(12-14)5-6-10-11-7-3-1-2-4-8(7)15-10/h1-6,14H,(H,12,13)/b6-5+
InChIKeyOVZSMRXHKVRXFD-AATRIKPKSA-N
XLogP1.35
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-3-(1,3-benzoxazol-2-yl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(1,3-benzoxazol-2-yl)-N-hydroxyprop-2-enamide (CID 10241991) is (E)-3-(1,3-benzoxazol-2-yl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-benzoxazol-2-yl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(1,3-benzoxazol-2-yl)-N-hydroxyprop-2-enamide is O=C(/C=C/c1nc2ccccc2o1)NO.
What is the InChIKey of (E)-3-(1,3-benzoxazol-2-yl)-N-hydroxyprop-2-enamide?
The InChIKey is OVZSMRXHKVRXFD-AATRIKPKSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-9(12-14)5-6-10-11-7-3-1-2-4-8(7)15-10/h1-6,14H,(H,12,13)/b6-5+.
What are the key properties of (E)-3-(1,3-benzoxazol-2-yl)-N-hydroxyprop-2-enamide?
(E)-3-(1,3-benzoxazol-2-yl)-N-hydroxyprop-2-enamide has a molecular weight of 204.19 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-benzoxazol-2-yl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 10241991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).