(E)-3-[2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-hydroxyprop-2-enamide

C14H13ClN2O3 — CID 70685938

IUPAC(E)-3-[2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-hydroxyprop-2-enamide
SMILESCc1noc(C)c1-c1ccc(/C=C/C(=O)NO)c(Cl)c1
InChIInChI=1S/C14H13ClN2O3/c1-8-14(9(2)20-17-8)11-4-3-10(12(15)7-11)5-6-13(18)16-19/h3-7,19H,1-2H3,(H,16,18)/b6-5+
InChIKeyISIYPXHNZZIKMU-AATRIKPKSA-N
MW292.72 g/mol
LogP3.13
Rot. Bonds3

About (E)-3-[2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-hydroxyprop-2-enamide

(E)-3-[2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 70685938) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is (E)-3-[2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-hydroxyprop-2-enamide
PubChem CID70685938
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name(E)-3-[2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-hydroxyprop-2-enamide
SMILESCc1noc(C)c1-c1ccc(/C=C/C(=O)NO)c(Cl)c1
InChIInChI=1S/C14H13ClN2O3/c1-8-14(9(2)20-17-8)11-4-3-10(12(15)7-11)5-6-13(18)16-19/h3-7,19H,1-2H3,(H,16,18)/b6-5+
InChIKeyISIYPXHNZZIKMU-AATRIKPKSA-N
XLogP3.13
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.13
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-[2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-hydroxyprop-2-enamide (CID 70685938) is (E)-3-[2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-hydroxyprop-2-enamide is Cc1noc(C)c1-c1ccc(/C=C/C(=O)NO)c(Cl)c1.
What is the InChIKey of (E)-3-[2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is ISIYPXHNZZIKMU-AATRIKPKSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-8-14(9(2)20-17-8)11-4-3-10(12(15)7-11)5-6-13(18)16-19/h3-7,19H,1-2H3,(H,16,18)/b6-5+.
What are the key properties of (E)-3-[2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 292.72 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 70685938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).