N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide

C20H21N7O3 — CID 24794030

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCCn1ccnc1CN(C)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1
InChIInChI=1S/C20H21N7O3/c1-3-26-9-8-22-19(26)11-25(2)20(28)18-10-17(30-24-18)12-29-16-6-4-15(5-7-16)27-14-21-13-23-27/h4-10,13-14H,3,11-12H2,1-2H3
InChIKeyFTFPVWCQYXWGTD-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.32
Rot. Bonds8

About N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide

N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24794030) has the molecular formula C20H21N7O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
PubChem CID24794030
Molecular FormulaC20H21N7O3
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCCn1ccnc1CN(C)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1
InChIInChI=1S/C20H21N7O3/c1-3-26-9-8-22-19(26)11-25(2)20(28)18-10-17(30-24-18)12-29-16-6-4-15(5-7-16)27-14-21-13-23-27/h4-10,13-14H,3,11-12H2,1-2H3
InChIKeyFTFPVWCQYXWGTD-UHFFFAOYSA-N
XLogP2.32
TPSA104.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide (CID 24794030) is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide is CCn1ccnc1CN(C)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is FTFPVWCQYXWGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O3/c1-3-26-9-8-22-19(26)11-25(2)20(28)18-10-17(30-24-18)12-29-16-6-4-15(5-7-16)27-14-21-13-23-27/h4-10,13-14H,3,11-12H2,1-2H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 2.32, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24794030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).