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

C20H21F3N4O3 — CID 24794145

IUPACN-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)N(Cc1nccn1C)C(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C20H21F3N4O3/c1-13(2)27(11-18-24-7-8-26(18)3)19(28)17-10-16(30-25-17)12-29-15-6-4-5-14(9-15)20(21,22)23/h4-10,13H,11-12H2,1-3H3
InChIKeyKRKYNPRCWZQZSR-UHFFFAOYSA-N
MW422.41 g/mol
LogP4.06
Rot. Bonds7

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

N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24794145) has the molecular formula C20H21F3N4O3 and a molecular weight of 422.41 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
PubChem CID24794145
Molecular FormulaC20H21F3N4O3
Molecular Weight422.41 g/mol
Exact Mass422.16
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)N(Cc1nccn1C)C(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C20H21F3N4O3/c1-13(2)27(11-18-24-7-8-26(18)3)19(28)17-10-16(30-25-17)12-29-15-6-4-5-14(9-15)20(21,22)23/h4-10,13H,11-12H2,1-3H3
InChIKeyKRKYNPRCWZQZSR-UHFFFAOYSA-N
XLogP4.06
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide (CID 24794145) is N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide is CC(C)N(Cc1nccn1C)C(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is KRKYNPRCWZQZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3/c1-13(2)27(11-18-24-7-8-26(18)3)19(28)17-10-16(30-25-17)12-29-15-6-4-5-14(9-15)20(21,22)23/h4-10,13H,11-12H2,1-3H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 422.41 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24794145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).