1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one

C27H23F3N4O2 — CID 139231965

IUPAC1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
SMILESCCCn1c(=O)n(Cc2cc(-c3ccc(C)cc3)no2)c2c(C(F)(F)F)cc(-c3ccccc3)nc21
InChIInChI=1S/C27H23F3N4O2/c1-3-13-33-25-24(21(27(28,29)30)15-22(31-25)18-7-5-4-6-8-18)34(26(33)35)16-20-14-23(32-36-20)19-11-9-17(2)10-12-19/h4-12,14-15H,3,13,16H2,1-2H3
InChIKeyRCVVOIBCBPZMHL-UHFFFAOYSA-N
MW492.50 g/mol
LogP6.31
Rot. Bonds6

About 1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one

1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 139231965) has the molecular formula C27H23F3N4O2 and a molecular weight of 492.50 g/mol. Its IUPAC name is 1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
PubChem CID139231965
Molecular FormulaC27H23F3N4O2
Molecular Weight492.50 g/mol
Exact Mass492.18
IUPAC Name1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
SMILESCCCn1c(=O)n(Cc2cc(-c3ccc(C)cc3)no2)c2c(C(F)(F)F)cc(-c3ccccc3)nc21
InChIInChI=1S/C27H23F3N4O2/c1-3-13-33-25-24(21(27(28,29)30)15-22(31-25)18-7-5-4-6-8-18)34(26(33)35)16-20-14-23(32-36-20)19-11-9-17(2)10-12-19/h4-12,14-15H,3,13,16H2,1-2H3
InChIKeyRCVVOIBCBPZMHL-UHFFFAOYSA-N
XLogP6.31
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.50
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2,4-Bis(trifluoromethyl)phenyl]-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
CID 11670647
5-[5-Amino-6-[3-[4-[[(3,3-difluorocyclobutyl)amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one
CID 54673902
5-[5-Amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-3-fluoro-1-propan-2-ylpyridin-2-one
CID 54674046
5-[5-Amino-6-[3-[4-(1-amino-2-fluoroethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
CID 68071041
US10617676, Example 8
CID 134489933
US10617676, Example 74
CID 134489973
US10617676, Example 571
CID 134490168
US10617676, Example 19
CID 134493911
(2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]-N-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propanamide
CID 139269315
1,3-Dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methyl]purine-2,6-dione
CID 1257284
5-[5-Amino-6-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one
CID 54672914
5-[5-Amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyridin-2-one
CID 129057672

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one (CID 139231965) is 1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one is CCCn1c(=O)n(Cc2cc(-c3ccc(C)cc3)no2)c2c(C(F)(F)F)cc(-c3ccccc3)nc21.
What is the InChIKey of 1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is RCVVOIBCBPZMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O2/c1-3-13-33-25-24(21(27(28,29)30)15-22(31-25)18-7-5-4-6-8-18)34(26(33)35)16-20-14-23(32-36-20)19-11-9-17(2)10-12-19/h4-12,14-15H,3,13,16H2,1-2H3.
What are the key properties of 1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one?
1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 492.50 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 139231965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).