1-[4-[3-(5-methyl-1,2-oxazol-3-yl)propanoyl]-2-pyridinyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one

C23H21F3N4O4 — CID 58247892

IUPAC1-[4-[3-(5-methyl-1,2-oxazol-3-yl)propanoyl]-2-pyridinyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one
SMILESCc1cc(CCC(=O)c2ccnc(N3CCN(Cc4ccc(OC(F)(F)F)cc4)C3=O)c2)no1
InChIInChI=1S/C23H21F3N4O4/c1-15-12-18(28-34-15)4-7-20(31)17-8-9-27-21(13-17)30-11-10-29(22(30)32)14-16-2-5-19(6-3-16)33-23(24,25)26/h2-3,5-6,8-9,12-13H,4,7,10-11,14H2,1H3
InChIKeyRXHOYIMTIQMJSN-UHFFFAOYSA-N
MW474.44 g/mol
LogP4.53
Rot. Bonds8

About 1-[4-[3-(5-methyl-1,2-oxazol-3-yl)propanoyl]-2-pyridinyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one

1-[4-[3-(5-methyl-1,2-oxazol-3-yl)propanoyl]-2-pyridinyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one (PubChem CID 58247892) has the molecular formula C23H21F3N4O4 and a molecular weight of 474.44 g/mol. Its IUPAC name is 1-[4-[3-(5-methyl-1,2-oxazol-3-yl)propanoyl]-2-pyridinyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[3-(5-methyl-1,2-oxazol-3-yl)propanoyl]-2-pyridinyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one
PubChem CID58247892
Molecular FormulaC23H21F3N4O4
Molecular Weight474.44 g/mol
Exact Mass474.15
IUPAC Name1-[4-[3-(5-methyl-1,2-oxazol-3-yl)propanoyl]-2-pyridinyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one
SMILESCc1cc(CCC(=O)c2ccnc(N3CCN(Cc4ccc(OC(F)(F)F)cc4)C3=O)c2)no1
InChIInChI=1S/C23H21F3N4O4/c1-15-12-18(28-34-15)4-7-20(31)17-8-9-27-21(13-17)30-11-10-29(22(30)32)14-16-2-5-19(6-3-16)33-23(24,25)26/h2-3,5-6,8-9,12-13H,4,7,10-11,14H2,1H3
InChIKeyRXHOYIMTIQMJSN-UHFFFAOYSA-N
XLogP4.53
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(5-methyl-1,2-oxazol-3-yl)propanoyl]-2-pyridinyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[3-(5-methyl-1,2-oxazol-3-yl)propanoyl]-2-pyridinyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one (CID 58247892) is 1-[4-[3-(5-methyl-1,2-oxazol-3-yl)propanoyl]-2-pyridinyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[3-(5-methyl-1,2-oxazol-3-yl)propanoyl]-2-pyridinyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[3-(5-methyl-1,2-oxazol-3-yl)propanoyl]-2-pyridinyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one is Cc1cc(CCC(=O)c2ccnc(N3CCN(Cc4ccc(OC(F)(F)F)cc4)C3=O)c2)no1.
What is the InChIKey of 1-[4-[3-(5-methyl-1,2-oxazol-3-yl)propanoyl]-2-pyridinyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one?
The InChIKey is RXHOYIMTIQMJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O4/c1-15-12-18(28-34-15)4-7-20(31)17-8-9-27-21(13-17)30-11-10-29(22(30)32)14-16-2-5-19(6-3-16)33-23(24,25)26/h2-3,5-6,8-9,12-13H,4,7,10-11,14H2,1H3.
What are the key properties of 1-[4-[3-(5-methyl-1,2-oxazol-3-yl)propanoyl]-2-pyridinyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one?
1-[4-[3-(5-methyl-1,2-oxazol-3-yl)propanoyl]-2-pyridinyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one has a molecular weight of 474.44 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(5-methyl-1,2-oxazol-3-yl)propanoyl]-2-pyridinyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 58247892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).