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

C20H19N5O3 — CID 46885820

IUPACN-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cn(Cc2cccc(Oc3ccccc3)c2)nn1)C1COC=N1
InChIInChI=1S/C20H19N5O3/c26-20(19-13-27-14-22-19)21-10-16-12-25(24-23-16)11-15-5-4-8-18(9-15)28-17-6-2-1-3-7-17/h1-9,12,14,19H,10-11,13H2,(H,21,26)
InChIKeyJRTGXZUHPKWDRU-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.16
Rot. Bonds7

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

N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 46885820) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID46885820
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cn(Cc2cccc(Oc3ccccc3)c2)nn1)C1COC=N1
InChIInChI=1S/C20H19N5O3/c26-20(19-13-27-14-22-19)21-10-16-12-25(24-23-16)11-15-5-4-8-18(9-15)28-17-6-2-1-3-7-17/h1-9,12,14,19H,10-11,13H2,(H,21,26)
InChIKeyJRTGXZUHPKWDRU-UHFFFAOYSA-N
XLogP2.16
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.16
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]-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 46885820) is N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide is O=C(NCc1cn(Cc2cccc(Oc3ccccc3)c2)nn1)C1COC=N1.
What is the InChIKey of N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is JRTGXZUHPKWDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c26-20(19-13-27-14-22-19)21-10-16-12-25(24-23-16)11-15-5-4-8-18(9-15)28-17-6-2-1-3-7-17/h1-9,12,14,19H,10-11,13H2,(H,21,26).
What are the key properties of N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide?
N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 2.16, 7 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]-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46885820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).