N-(N'-benzylcarbamimidoyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C19H18N4O2 — CID 71451855

IUPACN-(N'-benzylcarbamimidoyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N/C(N)=N/Cc1ccccc1
InChIInChI=1S/C19H18N4O2/c1-13-16(17(23-25-13)15-10-6-3-7-11-15)18(24)22-19(20)21-12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H3,20,21,22,24)
InChIKeyXSOBDHWBVJKUQV-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.89
Rot. Bonds4

About N-(N'-benzylcarbamimidoyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(N'-benzylcarbamimidoyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 71451855) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(N'-benzylcarbamimidoyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(N'-benzylcarbamimidoyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID71451855
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-(N'-benzylcarbamimidoyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N/C(N)=N/Cc1ccccc1
InChIInChI=1S/C19H18N4O2/c1-13-16(17(23-25-13)15-10-6-3-7-11-15)18(24)22-19(20)21-12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H3,20,21,22,24)
InChIKeyXSOBDHWBVJKUQV-UHFFFAOYSA-N
XLogP2.89
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(N'-benzylcarbamimidoyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(N'-benzylcarbamimidoyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 71451855) is N-(N'-benzylcarbamimidoyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(N'-benzylcarbamimidoyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(N'-benzylcarbamimidoyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)N/C(N)=N/Cc1ccccc1.
What is the InChIKey of N-(N'-benzylcarbamimidoyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is XSOBDHWBVJKUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-16(17(23-25-13)15-10-6-3-7-11-15)18(24)22-19(20)21-12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H3,20,21,22,24).
What are the key properties of N-(N'-benzylcarbamimidoyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(N'-benzylcarbamimidoyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-benzylcarbamimidoyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 71451855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).