1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea

C14H17F3N6O2 — CID 128997666

IUPAC1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCc1nc(CNC(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)no1
InChIInChI=1S/C14H17F3N6O2/c1-8-20-11(22-25-8)5-19-13(24)18-4-9-2-3-12-21-10(14(15,16)17)7-23(12)6-9/h7,9H,2-6H2,1H3,(H2,18,19,24)
InChIKeyYQAJUNSKHARVEH-UHFFFAOYSA-N
MW358.32 g/mol
LogP1.66
Rot. Bonds4

About 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea

1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (PubChem CID 128997666) has the molecular formula C14H17F3N6O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.

Molecular Properties

Compound Name1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
PubChem CID128997666
Molecular FormulaC14H17F3N6O2
Molecular Weight358.32 g/mol
Exact Mass358.14
IUPAC Name1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCc1nc(CNC(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)no1
InChIInChI=1S/C14H17F3N6O2/c1-8-20-11(22-25-8)5-19-13(24)18-4-9-2-3-12-21-10(14(15,16)17)7-23(12)6-9/h7,9H,2-6H2,1H3,(H2,18,19,24)
InChIKeyYQAJUNSKHARVEH-UHFFFAOYSA-N
XLogP1.66
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The IUPAC name of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (CID 128997666) is 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.
What is the SMILES notation for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The canonical SMILES for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is Cc1nc(CNC(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)no1.
What is the InChIKey of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The InChIKey is YQAJUNSKHARVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O2/c1-8-20-11(22-25-8)5-19-13(24)18-4-9-2-3-12-21-10(14(15,16)17)7-23(12)6-9/h7,9H,2-6H2,1H3,(H2,18,19,24).
What are the key properties of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea has a molecular weight of 358.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is sourced from PubChem (CID 128997666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).