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

C20H19F3N4O3 — CID 146540705

IUPACN-[2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)(CNC(=O)c1cc(=O)[nH]c(-c2ncco2)n1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N4O3/c1-19(2,10-12-3-5-13(6-4-12)20(21,22)23)11-25-17(29)14-9-15(28)27-16(26-14)18-24-7-8-30-18/h3-9H,10-11H2,1-2H3,(H,25,29)(H,26,27,28)
InChIKeyIHAUACKUOKUGDJ-UHFFFAOYSA-N
MW420.39 g/mol
LogP3.44
Rot. Bonds6

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

N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 146540705) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID146540705
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC NameN-[2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)(CNC(=O)c1cc(=O)[nH]c(-c2ncco2)n1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N4O3/c1-19(2,10-12-3-5-13(6-4-12)20(21,22)23)11-25-17(29)14-9-15(28)27-16(26-14)18-24-7-8-30-18/h3-9H,10-11H2,1-2H3,(H,25,29)(H,26,27,28)
InChIKeyIHAUACKUOKUGDJ-UHFFFAOYSA-N
XLogP3.44
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 146540705) is N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide is CC(C)(CNC(=O)c1cc(=O)[nH]c(-c2ncco2)n1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is IHAUACKUOKUGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c1-19(2,10-12-3-5-13(6-4-12)20(21,22)23)11-25-17(29)14-9-15(28)27-16(26-14)18-24-7-8-30-18/h3-9H,10-11H2,1-2H3,(H,25,29)(H,26,27,28).
What are the key properties of N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 420.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 146540705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).