(3-fluoro-4-pyridinyl)-[2-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methanone

C17H19FN4O2 — CID 97406077

IUPAC(3-fluoro-4-pyridinyl)-[2-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methanone
SMILESO=C(c1ccncc1F)N1Cc2nc(CN3CCCCC3)oc2C1
InChIInChI=1S/C17H19FN4O2/c18-13-8-19-5-4-12(13)17(23)22-9-14-15(10-22)24-16(20-14)11-21-6-2-1-3-7-21/h4-5,8H,1-3,6-7,9-11H2
InChIKeyGDBMCTKMEYLPCU-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.35
Rot. Bonds3

About (3-fluoro-4-pyridinyl)-[2-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methanone

(3-fluoro-4-pyridinyl)-[2-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methanone (PubChem CID 97406077) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-[2-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-[2-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methanone
PubChem CID97406077
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name(3-fluoro-4-pyridinyl)-[2-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methanone
SMILESO=C(c1ccncc1F)N1Cc2nc(CN3CCCCC3)oc2C1
InChIInChI=1S/C17H19FN4O2/c18-13-8-19-5-4-12(13)17(23)22-9-14-15(10-22)24-16(20-14)11-21-6-2-1-3-7-21/h4-5,8H,1-3,6-7,9-11H2
InChIKeyGDBMCTKMEYLPCU-UHFFFAOYSA-N
XLogP2.35
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-[2-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-[2-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methanone (CID 97406077) is (3-fluoro-4-pyridinyl)-[2-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-[2-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-[2-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methanone is O=C(c1ccncc1F)N1Cc2nc(CN3CCCCC3)oc2C1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-[2-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methanone?
The InChIKey is GDBMCTKMEYLPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-13-8-19-5-4-12(13)17(23)22-9-14-15(10-22)24-16(20-14)11-21-6-2-1-3-7-21/h4-5,8H,1-3,6-7,9-11H2.
What are the key properties of (3-fluoro-4-pyridinyl)-[2-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methanone?
(3-fluoro-4-pyridinyl)-[2-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methanone has a molecular weight of 330.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-[2-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methanone is sourced from PubChem (CID 97406077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).