N-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1,3-diazinane-4-carboxamide

C20H23F3N4O3 — CID 139268597

IUPACN-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC(C)(C)C(NC(=O)C1CC(=O)NC(c2ncco2)N1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H23F3N4O3/c1-19(2,3)15(11-4-6-12(7-5-11)20(21,22)23)27-17(29)13-10-14(28)26-16(25-13)18-24-8-9-30-18/h4-9,13,15-16,25H,10H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyQUUZGKGAAXDWAD-UHFFFAOYSA-N
MW424.42 g/mol
LogP3.07
Rot. Bonds4

About N-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1,3-diazinane-4-carboxamide

N-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1,3-diazinane-4-carboxamide (PubChem CID 139268597) has the molecular formula C20H23F3N4O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is N-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1,3-diazinane-4-carboxamide
PubChem CID139268597
Molecular FormulaC20H23F3N4O3
Molecular Weight424.42 g/mol
Exact Mass424.17
IUPAC NameN-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC(C)(C)C(NC(=O)C1CC(=O)NC(c2ncco2)N1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H23F3N4O3/c1-19(2,3)15(11-4-6-12(7-5-11)20(21,22)23)27-17(29)13-10-14(28)26-16(25-13)18-24-8-9-30-18/h4-9,13,15-16,25H,10H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyQUUZGKGAAXDWAD-UHFFFAOYSA-N
XLogP3.07
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1,3-diazinane-4-carboxamide (CID 139268597) is N-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1,3-diazinane-4-carboxamide is CC(C)(C)C(NC(=O)C1CC(=O)NC(c2ncco2)N1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1,3-diazinane-4-carboxamide?
The InChIKey is QUUZGKGAAXDWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O3/c1-19(2,3)15(11-4-6-12(7-5-11)20(21,22)23)27-17(29)13-10-14(28)26-16(25-13)18-24-8-9-30-18/h4-9,13,15-16,25H,10H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1,3-diazinane-4-carboxamide?
N-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 424.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).