(E)-3-(2-chlorophenyl)-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide

C16H14ClN5O2 — CID 25283177

IUPAC(E)-3-(2-chlorophenyl)-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
SMILESCc1cc(-c2nnc(NC(=O)/C=C/c3ccccc3Cl)o2)nn1C
InChIInChI=1S/C16H14ClN5O2/c1-10-9-13(21-22(10)2)15-19-20-16(24-15)18-14(23)8-7-11-5-3-4-6-12(11)17/h3-9H,1-2H3,(H,18,20,23)/b8-7+
InChIKeyBKIDAOKUTGHDDK-BQYQJAHWSA-N
MW343.77 g/mol
LogP3.08
Rot. Bonds4

About (E)-3-(2-chlorophenyl)-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide (PubChem CID 25283177) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
PubChem CID25283177
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name(E)-3-(2-chlorophenyl)-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
SMILESCc1cc(-c2nnc(NC(=O)/C=C/c3ccccc3Cl)o2)nn1C
InChIInChI=1S/C16H14ClN5O2/c1-10-9-13(21-22(10)2)15-19-20-16(24-15)18-14(23)8-7-11-5-3-4-6-12(11)17/h3-9H,1-2H3,(H,18,20,23)/b8-7+
InChIKeyBKIDAOKUTGHDDK-BQYQJAHWSA-N
XLogP3.08
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide (CID 25283177) is (E)-3-(2-chlorophenyl)-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide is Cc1cc(-c2nnc(NC(=O)/C=C/c3ccccc3Cl)o2)nn1C.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The InChIKey is BKIDAOKUTGHDDK-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-10-9-13(21-22(10)2)15-19-20-16(24-15)18-14(23)8-7-11-5-3-4-6-12(11)17/h3-9H,1-2H3,(H,18,20,23)/b8-7+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide has a molecular weight of 343.77 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 25283177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).