[(3S)-3-(2-hydroxypropan-2-yl)piperidin-3-yl]-[3-(2-methylphenyl)-1,2-oxazol-4-yl]methanone

C19H24N2O3 — CID 68735281

IUPAC[(3S)-3-(2-hydroxypropan-2-yl)piperidin-3-yl]-[3-(2-methylphenyl)-1,2-oxazol-4-yl]methanone
SMILESCc1ccccc1-c1nocc1C(=O)[C@@]1(C(C)(C)O)CCCNC1
InChIInChI=1S/C19H24N2O3/c1-13-7-4-5-8-14(13)16-15(11-24-21-16)17(22)19(18(2,3)23)9-6-10-20-12-19/h4-5,7-8,11,20,23H,6,9-10,12H2,1-3H3/t19-/m1/s1
InChIKeyYLFBUSBRLKXDJL-LJQANCHMSA-N
MW328.41 g/mol
LogP2.97
Rot. Bonds4

About [(3S)-3-(2-hydroxypropan-2-yl)piperidin-3-yl]-[3-(2-methylphenyl)-1,2-oxazol-4-yl]methanone

[(3S)-3-(2-hydroxypropan-2-yl)piperidin-3-yl]-[3-(2-methylphenyl)-1,2-oxazol-4-yl]methanone (PubChem CID 68735281) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [(3S)-3-(2-hydroxypropan-2-yl)piperidin-3-yl]-[3-(2-methylphenyl)-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(2-hydroxypropan-2-yl)piperidin-3-yl]-[3-(2-methylphenyl)-1,2-oxazol-4-yl]methanone
PubChem CID68735281
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[(3S)-3-(2-hydroxypropan-2-yl)piperidin-3-yl]-[3-(2-methylphenyl)-1,2-oxazol-4-yl]methanone
SMILESCc1ccccc1-c1nocc1C(=O)[C@@]1(C(C)(C)O)CCCNC1
InChIInChI=1S/C19H24N2O3/c1-13-7-4-5-8-14(13)16-15(11-24-21-16)17(22)19(18(2,3)23)9-6-10-20-12-19/h4-5,7-8,11,20,23H,6,9-10,12H2,1-3H3/t19-/m1/s1
InChIKeyYLFBUSBRLKXDJL-LJQANCHMSA-N
XLogP2.97
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-hydroxypropan-2-yl)piperidin-3-yl]-[3-(2-methylphenyl)-1,2-oxazol-4-yl]methanone?
The IUPAC name of [(3S)-3-(2-hydroxypropan-2-yl)piperidin-3-yl]-[3-(2-methylphenyl)-1,2-oxazol-4-yl]methanone (CID 68735281) is [(3S)-3-(2-hydroxypropan-2-yl)piperidin-3-yl]-[3-(2-methylphenyl)-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for [(3S)-3-(2-hydroxypropan-2-yl)piperidin-3-yl]-[3-(2-methylphenyl)-1,2-oxazol-4-yl]methanone?
The canonical SMILES for [(3S)-3-(2-hydroxypropan-2-yl)piperidin-3-yl]-[3-(2-methylphenyl)-1,2-oxazol-4-yl]methanone is Cc1ccccc1-c1nocc1C(=O)[C@@]1(C(C)(C)O)CCCNC1.
What is the InChIKey of [(3S)-3-(2-hydroxypropan-2-yl)piperidin-3-yl]-[3-(2-methylphenyl)-1,2-oxazol-4-yl]methanone?
The InChIKey is YLFBUSBRLKXDJL-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-7-4-5-8-14(13)16-15(11-24-21-16)17(22)19(18(2,3)23)9-6-10-20-12-19/h4-5,7-8,11,20,23H,6,9-10,12H2,1-3H3/t19-/m1/s1.
What are the key properties of [(3S)-3-(2-hydroxypropan-2-yl)piperidin-3-yl]-[3-(2-methylphenyl)-1,2-oxazol-4-yl]methanone?
[(3S)-3-(2-hydroxypropan-2-yl)piperidin-3-yl]-[3-(2-methylphenyl)-1,2-oxazol-4-yl]methanone has a molecular weight of 328.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-hydroxypropan-2-yl)piperidin-3-yl]-[3-(2-methylphenyl)-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 68735281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).