[5-[(1S)-1-hydroxyethyl]-3-phenyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone

C22H23N3O3 — CID 100632764

IUPAC[5-[(1S)-1-hydroxyethyl]-3-phenyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESC[C@H](O)c1onc(-c2ccccc2)c1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H23N3O3/c1-16(26)21-19(20(23-28-21)17-8-4-2-5-9-17)22(27)25-14-12-24(13-15-25)18-10-6-3-7-11-18/h2-11,16,26H,12-15H2,1H3/t16-/m0/s1
InChIKeyFWHILBPTSGCWQX-INIZCTEOSA-N
MW377.44 g/mol
LogP3.36
Rot. Bonds4

About [5-[(1S)-1-hydroxyethyl]-3-phenyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone

[5-[(1S)-1-hydroxyethyl]-3-phenyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 100632764) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is [5-[(1S)-1-hydroxyethyl]-3-phenyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(1S)-1-hydroxyethyl]-3-phenyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID100632764
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name[5-[(1S)-1-hydroxyethyl]-3-phenyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESC[C@H](O)c1onc(-c2ccccc2)c1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H23N3O3/c1-16(26)21-19(20(23-28-21)17-8-4-2-5-9-17)22(27)25-14-12-24(13-15-25)18-10-6-3-7-11-18/h2-11,16,26H,12-15H2,1H3/t16-/m0/s1
InChIKeyFWHILBPTSGCWQX-INIZCTEOSA-N
XLogP3.36
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-chlorophenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 162793272
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone
CID 162800213
5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid
CID 162957038
1-[4-[3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 124877442
1-[4-[3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 162913152
[5-(1-hydroxyethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone
CID 162800210
N-[1-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 162822751
[5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 124878355
(4-benzylpiperazin-1-yl)-[5-(1-hydroxyethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]methanone
CID 162800298
[5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-morpholin-4-ylmethanone
CID 162846787
(4-benzylpiperidin-1-yl)-[3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazol-4-yl]methanone
CID 100632464
[3-(3,4-dimethoxyphenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 124876165

Frequently Asked Questions

What is the IUPAC name of [5-[(1S)-1-hydroxyethyl]-3-phenyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-[(1S)-1-hydroxyethyl]-3-phenyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 100632764) is [5-[(1S)-1-hydroxyethyl]-3-phenyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(1S)-1-hydroxyethyl]-3-phenyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(1S)-1-hydroxyethyl]-3-phenyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone is C[C@H](O)c1onc(-c2ccccc2)c1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [5-[(1S)-1-hydroxyethyl]-3-phenyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is FWHILBPTSGCWQX-INIZCTEOSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16(26)21-19(20(23-28-21)17-8-4-2-5-9-17)22(27)25-14-12-24(13-15-25)18-10-6-3-7-11-18/h2-11,16,26H,12-15H2,1H3/t16-/m0/s1.
What are the key properties of [5-[(1S)-1-hydroxyethyl]-3-phenyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[5-[(1S)-1-hydroxyethyl]-3-phenyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 377.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1S)-1-hydroxyethyl]-3-phenyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 100632764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).