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

C15H18F3N5O2 — CID 129004435

IUPAC1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCc1nc(NC(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)oc1C
InChIInChI=1S/C15H18F3N5O2/c1-8-9(2)25-14(20-8)22-13(24)19-5-10-3-4-12-21-11(15(16,17)18)7-23(12)6-10/h7,10H,3-6H2,1-2H3,(H2,19,20,22,24)
InChIKeyXFOCCMRXFWKRIZ-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.89
Rot. Bonds3

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

1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (PubChem CID 129004435) has the molecular formula C15H18F3N5O2 and a molecular weight of 357.34 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
PubChem CID129004435
Molecular FormulaC15H18F3N5O2
Molecular Weight357.34 g/mol
Exact Mass357.14
IUPAC Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCc1nc(NC(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)oc1C
InChIInChI=1S/C15H18F3N5O2/c1-8-9(2)25-14(20-8)22-13(24)19-5-10-3-4-12-21-11(15(16,17)18)7-23(12)6-10/h7,10H,3-6H2,1-2H3,(H2,19,20,22,24)
InChIKeyXFOCCMRXFWKRIZ-UHFFFAOYSA-N
XLogP2.89
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (CID 129004435) is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is Cc1nc(NC(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)oc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The InChIKey is XFOCCMRXFWKRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O2/c1-8-9(2)25-14(20-8)22-13(24)19-5-10-3-4-12-21-11(15(16,17)18)7-23(12)6-10/h7,10H,3-6H2,1-2H3,(H2,19,20,22,24).
What are the key properties of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea has a molecular weight of 357.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is sourced from PubChem (CID 129004435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).