[4-[1-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]methanone

C24H25ClN4O3 — CID 166331693

IUPAC[4-[1-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1CCN(C(CO)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H25ClN4O3/c25-20-9-7-16(8-10-20)21(15-30)28-11-13-29(14-12-28)24(31)19-5-3-18(4-6-19)23-26-22(27-32-23)17-1-2-17/h3-10,17,21,30H,1-2,11-15H2
InChIKeyCPBOQKCETIZSSK-UHFFFAOYSA-N
MW452.94 g/mol
LogP3.76
Rot. Bonds6

About [4-[1-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]methanone

[4-[1-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (PubChem CID 166331693) has the molecular formula C24H25ClN4O3 and a molecular weight of 452.94 g/mol. Its IUPAC name is [4-[1-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-[1-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
PubChem CID166331693
Molecular FormulaC24H25ClN4O3
Molecular Weight452.94 g/mol
Exact Mass452.16
IUPAC Name[4-[1-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1CCN(C(CO)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H25ClN4O3/c25-20-9-7-16(8-10-20)21(15-30)28-11-13-29(14-12-28)24(31)19-5-3-18(4-6-19)23-26-22(27-32-23)17-1-2-17/h3-10,17,21,30H,1-2,11-15H2
InChIKeyCPBOQKCETIZSSK-UHFFFAOYSA-N
XLogP3.76
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579142
[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997655
(4-chlorophenyl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 53018526
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 50767501
[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 50779143
(4-chlorophenyl)-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 97435789
[4-[1-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)methanone
CID 166221598
[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 92769694
(4-chlorophenyl)-[2-cyclopropyl-4-(dimethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 134410734
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 4668115
5-(4-chlorophenyl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 53130663
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 111912093

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The IUPAC name of [4-[1-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (CID 166331693) is [4-[1-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.
What is the SMILES notation for [4-[1-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The canonical SMILES for [4-[1-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1CCN(C(CO)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-[1-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The InChIKey is CPBOQKCETIZSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3/c25-20-9-7-16(8-10-20)21(15-30)28-11-13-29(14-12-28)24(31)19-5-3-18(4-6-19)23-26-22(27-32-23)17-1-2-17/h3-10,17,21,30H,1-2,11-15H2.
What are the key properties of [4-[1-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
[4-[1-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]methanone has a molecular weight of 452.94 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is sourced from PubChem (CID 166331693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).