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

C26H20ClF3N4O2 — CID 139231968

IUPAC1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
SMILESCCCn1c(=O)n(Cc2cc(-c3ccc(Cl)cc3)no2)c2c(C(F)(F)F)cc(-c3ccccc3)nc21
InChIInChI=1S/C26H20ClF3N4O2/c1-2-12-33-24-23(20(26(28,29)30)14-21(31-24)16-6-4-3-5-7-16)34(25(33)35)15-19-13-22(32-36-19)17-8-10-18(27)11-9-17/h3-11,13-14H,2,12,15H2,1H3
InChIKeyDMTQYTYWGCKLOI-UHFFFAOYSA-N
MW512.92 g/mol
LogP6.65
Rot. Bonds6

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

1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 139231968) has the molecular formula C26H20ClF3N4O2 and a molecular weight of 512.92 g/mol. Its IUPAC name is 1-[[3-(4-chlorophenyl)-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-chlorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
PubChem CID139231968
Molecular FormulaC26H20ClF3N4O2
Molecular Weight512.92 g/mol
Exact Mass512.12
IUPAC Name1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
SMILESCCCn1c(=O)n(Cc2cc(-c3ccc(Cl)cc3)no2)c2c(C(F)(F)F)cc(-c3ccccc3)nc21
InChIInChI=1S/C26H20ClF3N4O2/c1-2-12-33-24-23(20(26(28,29)30)14-21(31-24)16-6-4-3-5-7-16)34(25(33)35)15-19-13-22(32-36-19)17-8-10-18(27)11-9-17/h3-11,13-14H,2,12,15H2,1H3
InChIKeyDMTQYTYWGCKLOI-UHFFFAOYSA-N
XLogP6.65
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.92
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[3-(4-Chlorophenyl)-1,2-oxazol-5-yl]methyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
CID 127047571
3-(4-Chlorophenyl)-5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]isoxazole
CID 15986473
3-(4-Chlorophenyl)-5-[[8-(2,3-difluorophenyl)purin-1-yl]methyl]isoxazole
CID 11704519
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
1-[(3-Naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
CID 139231966
1-[[3-(2,4-Difluorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
CID 139231967
1-[[3-(4-Bromophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
CID 139231969
3-Benzyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
CID 139231970
3-Benzyl-1-[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
CID 139231971
3-Benzyl-1-[[3-(2,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
CID 139231972
3-Benzyl-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
CID 139231973
3-Benzyl-1-[[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
CID 139231974

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-chlorophenyl)-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-chlorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one (CID 139231968) is 1-[[3-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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(Cl)cc3)no2)c2c(C(F)(F)F)cc(-c3ccccc3)nc21.
What is the InChIKey of 1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is DMTQYTYWGCKLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClF3N4O2/c1-2-12-33-24-23(20(26(28,29)30)14-21(31-24)16-6-4-3-5-7-16)34(25(33)35)15-19-13-22(32-36-19)17-8-10-18(27)11-9-17/h3-11,13-14H,2,12,15H2,1H3.
What are the key properties of 1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one?
1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 512.92 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 139231968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).