3-[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-1,3-benzoxazol-2-one

C21H24N2O4 — CID 141058042

IUPAC3-[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1C1CCN(CC(O)COc2ccccc2)CC1
InChIInChI=1S/C21H24N2O4/c24-17(15-26-18-6-2-1-3-7-18)14-22-12-10-16(11-13-22)23-19-8-4-5-9-20(19)27-21(23)25/h1-9,16-17,24H,10-15H2
InChIKeyMYWQUDSMRDHDCG-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.67
Rot. Bonds6

About 3-[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-1,3-benzoxazol-2-one

3-[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-1,3-benzoxazol-2-one (PubChem CID 141058042) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-1,3-benzoxazol-2-one
PubChem CID141058042
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name3-[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1C1CCN(CC(O)COc2ccccc2)CC1
InChIInChI=1S/C21H24N2O4/c24-17(15-26-18-6-2-1-3-7-18)14-22-12-10-16(11-13-22)23-19-8-4-5-9-20(19)27-21(23)25/h1-9,16-17,24H,10-15H2
InChIKeyMYWQUDSMRDHDCG-UHFFFAOYSA-N
XLogP2.67
TPSA67.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-hydroxy-3-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]benzamide
CID 10184732
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995
(2R)-2-hydroxy-2-[1-[(2R)-2-hydroxy-3-phenoxypropyl]piperidin-4-yl]acetamide
CID 129490089
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 110882103
2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid
CID 119135376
1-phenoxy-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-2-ol
CID 4206507
1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 2939361
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 141041914
cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone
CID 95934856
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 87022270

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-1,3-benzoxazol-2-one (CID 141058042) is 3-[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1C1CCN(CC(O)COc2ccccc2)CC1.
What is the InChIKey of 3-[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-1,3-benzoxazol-2-one?
The InChIKey is MYWQUDSMRDHDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-17(15-26-18-6-2-1-3-7-18)14-22-12-10-16(11-13-22)23-19-8-4-5-9-20(19)27-21(23)25/h1-9,16-17,24H,10-15H2.
What are the key properties of 3-[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-1,3-benzoxazol-2-one?
3-[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-1,3-benzoxazol-2-one has a molecular weight of 368.43 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 141058042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).