N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide

C26H23N5O3 — CID 46885764

IUPACN-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cn(Cc2cccc(Oc3ccccc3)c2)nn1)C1COC(c2ccccc2)=N1
InChIInChI=1S/C26H23N5O3/c32-25(24-18-33-26(28-24)20-9-3-1-4-10-20)27-15-21-17-31(30-29-21)16-19-8-7-13-23(14-19)34-22-11-5-2-6-12-22/h1-14,17,24H,15-16,18H2,(H,27,32)
InChIKeyOUISUXYCXMNUMD-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.58
Rot. Bonds8

About N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide

N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 46885764) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID46885764
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC NameN-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cn(Cc2cccc(Oc3ccccc3)c2)nn1)C1COC(c2ccccc2)=N1
InChIInChI=1S/C26H23N5O3/c32-25(24-18-33-26(28-24)20-9-3-1-4-10-20)27-15-21-17-31(30-29-21)16-19-8-7-13-23(14-19)34-22-11-5-2-6-12-22/h1-14,17,24H,15-16,18H2,(H,27,32)
InChIKeyOUISUXYCXMNUMD-UHFFFAOYSA-N
XLogP3.58
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 46885764) is N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide is O=C(NCc1cn(Cc2cccc(Oc3ccccc3)c2)nn1)C1COC(c2ccccc2)=N1.
What is the InChIKey of N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is OUISUXYCXMNUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c32-25(24-18-33-26(28-24)20-9-3-1-4-10-20)27-15-21-17-31(30-29-21)16-19-8-7-13-23(14-19)34-22-11-5-2-6-12-22/h1-14,17,24H,15-16,18H2,(H,27,32).
What are the key properties of N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46885764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).