5-methyl-3-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,2-oxazole-4-carboxamide

C20H17N3O2 — CID 16745878

IUPAC5-methyl-3-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NN=C/C=C/c1ccccc1
InChIInChI=1S/C20H17N3O2/c1-15-18(19(23-25-15)17-12-6-3-7-13-17)20(24)22-21-14-8-11-16-9-4-2-5-10-16/h2-14H,1H3,(H,22,24)/b11-8+,21-14?
InChIKeyOMZFNNXNDFYTAW-ABOJPNFUSA-N
MW331.38 g/mol
LogP4.08
Rot. Bonds5

About 5-methyl-3-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,2-oxazole-4-carboxamide

5-methyl-3-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,2-oxazole-4-carboxamide (PubChem CID 16745878) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,2-oxazole-4-carboxamide
PubChem CID16745878
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name5-methyl-3-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NN=C/C=C/c1ccccc1
InChIInChI=1S/C20H17N3O2/c1-15-18(19(23-25-15)17-12-6-3-7-13-17)20(24)22-21-14-8-11-16-9-4-2-5-10-16/h2-14H,1H3,(H,22,24)/b11-8+,21-14?
InChIKeyOMZFNNXNDFYTAW-ABOJPNFUSA-N
XLogP4.08
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.08
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 5-methyl-3-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,2-oxazole-4-carboxamide (CID 16745878) is 5-methyl-3-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NN=C/C=C/c1ccccc1.
What is the InChIKey of 5-methyl-3-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,2-oxazole-4-carboxamide?
The InChIKey is OMZFNNXNDFYTAW-ABOJPNFUSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-15-18(19(23-25-15)17-12-6-3-7-13-17)20(24)22-21-14-8-11-16-9-4-2-5-10-16/h2-14H,1H3,(H,22,24)/b11-8+,21-14?.
What are the key properties of 5-methyl-3-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,2-oxazole-4-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 16745878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).