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

C14H17FN4O2 — CID 169164728

IUPAC[2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCc1nc(C(C)(C)F)oc1C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C14H17FN4O2/c1-8-11(21-13(18-8)14(2,3)15)12(20)19-5-4-9-10(6-19)17-7-16-9/h7H,4-6H2,1-3H3,(H,16,17)
InChIKeyXQOCANWLRFNLJV-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.11
Rot. Bonds2

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

[2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 169164728) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is [2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID169164728
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name[2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCc1nc(C(C)(C)F)oc1C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C14H17FN4O2/c1-8-11(21-13(18-8)14(2,3)15)12(20)19-5-4-9-10(6-19)17-7-16-9/h7H,4-6H2,1-3H3,(H,16,17)
InChIKeyXQOCANWLRFNLJV-UHFFFAOYSA-N
XLogP2.11
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 169164728) is [2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-(3,4,6,7-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]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is Cc1nc(C(C)(C)F)oc1C(=O)N1CCc2nc[nH]c2C1.
What is the InChIKey of [2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is XQOCANWLRFNLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-8-11(21-13(18-8)14(2,3)15)12(20)19-5-4-9-10(6-19)17-7-16-9/h7H,4-6H2,1-3H3,(H,16,17).
What are the key properties of [2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
[2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 292.31 g/mol, XLogP of 2.11, 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]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 169164728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).