[4-(4,5-dihydro-1,2-oxazol-3-yl)piperidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone

C17H21F3N4O2 — CID 154855156

IUPAC[4-(4,5-dihydro-1,2-oxazol-3-yl)piperidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
SMILESO=C(c1nc(C(F)(F)F)n2c1CCCC2)N1CCC(C2=NOCC2)CC1
InChIInChI=1S/C17H21F3N4O2/c18-17(19,20)16-21-14(13-3-1-2-7-24(13)16)15(25)23-8-4-11(5-9-23)12-6-10-26-22-12/h11H,1-10H2
InChIKeyNNTAHFDBAQJUNU-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.87
Rot. Bonds2

About [4-(4,5-dihydro-1,2-oxazol-3-yl)piperidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone

[4-(4,5-dihydro-1,2-oxazol-3-yl)piperidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone (PubChem CID 154855156) has the molecular formula C17H21F3N4O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is [4-(4,5-dihydro-1,2-oxazol-3-yl)piperidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4,5-dihydro-1,2-oxazol-3-yl)piperidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
PubChem CID154855156
Molecular FormulaC17H21F3N4O2
Molecular Weight370.38 g/mol
Exact Mass370.16
IUPAC Name[4-(4,5-dihydro-1,2-oxazol-3-yl)piperidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
SMILESO=C(c1nc(C(F)(F)F)n2c1CCCC2)N1CCC(C2=NOCC2)CC1
InChIInChI=1S/C17H21F3N4O2/c18-17(19,20)16-21-14(13-3-1-2-7-24(13)16)15(25)23-8-4-11(5-9-23)12-6-10-26-22-12/h11H,1-10H2
InChIKeyNNTAHFDBAQJUNU-UHFFFAOYSA-N
XLogP2.87
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4,5-dihydro-1,2-oxazol-3-yl)piperidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
The IUPAC name of [4-(4,5-dihydro-1,2-oxazol-3-yl)piperidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone (CID 154855156) is [4-(4,5-dihydro-1,2-oxazol-3-yl)piperidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone.
What is the SMILES notation for [4-(4,5-dihydro-1,2-oxazol-3-yl)piperidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
The canonical SMILES for [4-(4,5-dihydro-1,2-oxazol-3-yl)piperidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone is O=C(c1nc(C(F)(F)F)n2c1CCCC2)N1CCC(C2=NOCC2)CC1.
What is the InChIKey of [4-(4,5-dihydro-1,2-oxazol-3-yl)piperidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
The InChIKey is NNTAHFDBAQJUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O2/c18-17(19,20)16-21-14(13-3-1-2-7-24(13)16)15(25)23-8-4-11(5-9-23)12-6-10-26-22-12/h11H,1-10H2.
What are the key properties of [4-(4,5-dihydro-1,2-oxazol-3-yl)piperidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
[4-(4,5-dihydro-1,2-oxazol-3-yl)piperidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone has a molecular weight of 370.38 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,5-dihydro-1,2-oxazol-3-yl)piperidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone is sourced from PubChem (CID 154855156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).