6-[1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one

C19H22N4O3 — CID 10428214

IUPAC6-[1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C(O)CN3CCN(c4ccccn4)CC3)ccc21
InChIInChI=1S/C19H22N4O3/c1-21-15-6-5-14(12-17(15)26-19(21)25)16(24)13-22-8-10-23(11-9-22)18-4-2-3-7-20-18/h2-7,12,16,24H,8-11,13H2,1H3
InChIKeyJKXCDFUQYJGTIU-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.38
Rot. Bonds4

About 6-[1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one

6-[1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 10428214) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 6-[1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID10428214
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name6-[1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C(O)CN3CCN(c4ccccn4)CC3)ccc21
InChIInChI=1S/C19H22N4O3/c1-21-15-6-5-14(12-17(15)26-19(21)25)16(24)13-22-8-10-23(11-9-22)18-4-2-3-7-20-18/h2-7,12,16,24H,8-11,13H2,1H3
InChIKeyJKXCDFUQYJGTIU-UHFFFAOYSA-N
XLogP1.38
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one with MolForge

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Related Compounds

(1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 95104663
1-[(2S)-5-[(1S)-1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 51593339
(1S)-1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 51587956
(1S)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 51593377
6-(4-amino-1-hydroxybutyl)-3-methyl-1,3-benzoxazol-2-one
CID 82341274
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
(1R)-1-(1-ethylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 51872224
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
5-hydroxy-3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanoic acid
CID 62933845
7-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-3,4-dimethylchromen-2-one
CID 51703484
1-(4-propan-2-ylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2882133
1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3774471

Frequently Asked Questions

What is the IUPAC name of 6-[1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one (CID 10428214) is 6-[1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(C(O)CN3CCN(c4ccccn4)CC3)ccc21.
What is the InChIKey of 6-[1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is JKXCDFUQYJGTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-21-15-6-5-14(12-17(15)26-19(21)25)16(24)13-22-8-10-23(11-9-22)18-4-2-3-7-20-18/h2-7,12,16,24H,8-11,13H2,1H3.
What are the key properties of 6-[1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one?
6-[1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 354.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 10428214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).