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

C21H23N7O3 — CID 24816933

IUPACN-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)N(Cc1nccn1C)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1
InChIInChI=1S/C21H23N7O3/c1-15(2)27(11-20-23-8-9-26(20)3)21(29)19-10-18(31-25-19)12-30-17-6-4-16(5-7-17)28-14-22-13-24-28/h4-10,13-15H,11-12H2,1-3H3
InChIKeyMYCOYMPKLKDWMD-UHFFFAOYSA-N
MW421.46 g/mol
LogP2.62
Rot. Bonds8

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

N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24816933) has the molecular formula C21H23N7O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
PubChem CID24816933
Molecular FormulaC21H23N7O3
Molecular Weight421.46 g/mol
Exact Mass421.19
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)N(Cc1nccn1C)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1
InChIInChI=1S/C21H23N7O3/c1-15(2)27(11-20-23-8-9-26(20)3)21(29)19-10-18(31-25-19)12-30-17-6-4-16(5-7-17)28-14-22-13-24-28/h4-10,13-15H,11-12H2,1-3H3
InChIKeyMYCOYMPKLKDWMD-UHFFFAOYSA-N
XLogP2.62
TPSA104.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide (CID 24816933) is N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide is CC(C)N(Cc1nccn1C)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MYCOYMPKLKDWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3/c1-15(2)27(11-20-23-8-9-26(20)3)21(29)19-10-18(31-25-19)12-30-17-6-4-16(5-7-17)28-14-22-13-24-28/h4-10,13-15H,11-12H2,1-3H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24816933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).