methyl 5-phenyl-3-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,2-oxazole-4-carboxylate

C23H20N4O3 — CID 165427466

IUPACmethyl 5-phenyl-3-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(N2Cc3[nH]cnc3C(c3ccccc3)C2)noc1-c1ccccc1
InChIInChI=1S/C23H20N4O3/c1-29-23(28)19-21(16-10-6-3-7-11-16)30-26-22(19)27-12-17(15-8-4-2-5-9-15)20-18(13-27)24-14-25-20/h2-11,14,17H,12-13H2,1H3,(H,24,25)
InChIKeyYOZVEXGZDWIKQI-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.00
Rot. Bonds4

About methyl 5-phenyl-3-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,2-oxazole-4-carboxylate

methyl 5-phenyl-3-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,2-oxazole-4-carboxylate (PubChem CID 165427466) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is methyl 5-phenyl-3-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-phenyl-3-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,2-oxazole-4-carboxylate
PubChem CID165427466
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Namemethyl 5-phenyl-3-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(N2Cc3[nH]cnc3C(c3ccccc3)C2)noc1-c1ccccc1
InChIInChI=1S/C23H20N4O3/c1-29-23(28)19-21(16-10-6-3-7-11-16)30-26-22(19)27-12-17(15-8-4-2-5-9-15)20-18(13-27)24-14-25-20/h2-11,14,17H,12-13H2,1H3,(H,24,25)
InChIKeyYOZVEXGZDWIKQI-UHFFFAOYSA-N
XLogP4.00
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-phenyl-3-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,2-oxazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-phenyl-3-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-phenyl-3-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,2-oxazole-4-carboxylate (CID 165427466) is methyl 5-phenyl-3-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-phenyl-3-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-phenyl-3-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,2-oxazole-4-carboxylate is COC(=O)c1c(N2Cc3[nH]cnc3C(c3ccccc3)C2)noc1-c1ccccc1.
What is the InChIKey of methyl 5-phenyl-3-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,2-oxazole-4-carboxylate?
The InChIKey is YOZVEXGZDWIKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-29-23(28)19-21(16-10-6-3-7-11-16)30-26-22(19)27-12-17(15-8-4-2-5-9-15)20-18(13-27)24-14-25-20/h2-11,14,17H,12-13H2,1H3,(H,24,25).
What are the key properties of methyl 5-phenyl-3-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,2-oxazole-4-carboxylate?
methyl 5-phenyl-3-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,2-oxazole-4-carboxylate has a molecular weight of 400.44 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-phenyl-3-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 165427466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).