[2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-[(4R)-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C15H19FN4O2 — CID 170388371

IUPAC[2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-[(4R)-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1nc(C(C)(C)F)oc1C(=O)N1CCc2[nH]cnc2[C@H]1C
InChIInChI=1S/C15H19FN4O2/c1-8-12(22-14(19-8)15(3,4)16)13(21)20-6-5-10-11(9(20)2)18-7-17-10/h7,9H,5-6H2,1-4H3,(H,17,18)/t9-/m1/s1
InChIKeyRARVMSKZBDBPQW-SECBINFHSA-N
MW306.34 g/mol
LogP2.67
Rot. Bonds2

About [2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-[(4R)-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-[(4R)-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170388371) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is [2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-[(4R)-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-[(4R)-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID170388371
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name[2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-[(4R)-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1nc(C(C)(C)F)oc1C(=O)N1CCc2[nH]cnc2[C@H]1C
InChIInChI=1S/C15H19FN4O2/c1-8-12(22-14(19-8)15(3,4)16)13(21)20-6-5-10-11(9(20)2)18-7-17-10/h7,9H,5-6H2,1-4H3,(H,17,18)/t9-/m1/s1
InChIKeyRARVMSKZBDBPQW-SECBINFHSA-N
XLogP2.67
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-[(4R)-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-[(4R)-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-[(4R)-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 170388371) is [2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-[(4R)-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-[(4R)-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-[(4R)-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is Cc1nc(C(C)(C)F)oc1C(=O)N1CCc2[nH]cnc2[C@H]1C.
What is the InChIKey of [2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-[(4R)-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is RARVMSKZBDBPQW-SECBINFHSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-8-12(22-14(19-8)15(3,4)16)13(21)20-6-5-10-11(9(20)2)18-7-17-10/h7,9H,5-6H2,1-4H3,(H,17,18)/t9-/m1/s1.
What are the key properties of [2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-[(4R)-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-[(4R)-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 306.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-[(4R)-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 170388371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).