N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-5-phenyl-1,2-oxazole-3-carboxamide

C19H14ClN3O2 — CID 129432016

IUPACN-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NN=C/C(Cl)=C\c1ccccc1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H14ClN3O2/c20-16(11-14-7-3-1-4-8-14)13-21-22-19(24)17-12-18(25-23-17)15-9-5-2-6-10-15/h1-13H,(H,22,24)/b16-11+,21-13?
InChIKeyMXMLSBDQBUUFLU-SOVLUKJXSA-N
MW351.79 g/mol
LogP4.34
Rot. Bonds5

About N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-5-phenyl-1,2-oxazole-3-carboxamide

N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 129432016) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID129432016
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC NameN-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NN=C/C(Cl)=C\c1ccccc1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H14ClN3O2/c20-16(11-14-7-3-1-4-8-14)13-21-22-19(24)17-12-18(25-23-17)15-9-5-2-6-10-15/h1-13H,(H,22,24)/b16-11+,21-13?
InChIKeyMXMLSBDQBUUFLU-SOVLUKJXSA-N
XLogP4.34
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-5-phenyl-1,2-oxazole-3-carboxamide (CID 129432016) is N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NN=C/C(Cl)=C\c1ccccc1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is MXMLSBDQBUUFLU-SOVLUKJXSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c20-16(11-14-7-3-1-4-8-14)13-21-22-19(24)17-12-18(25-23-17)15-9-5-2-6-10-15/h1-13H,(H,22,24)/b16-11+,21-13?.
What are the key properties of N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 351.79 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 129432016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).