[4-[3-(5-amino-1,2-oxazol-3-yl)phenyl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone

C24H26N4O4 — CID 139379723

IUPAC[4-[3-(5-amino-1,2-oxazol-3-yl)phenyl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone
SMILESNc1cc(-c2cccc(-c3ccc(C(=O)N4CCN(C(O)C5(O)CC5)CC4)cc3)c2)no1
InChIInChI=1S/C24H26N4O4/c25-21-15-20(26-32-21)19-3-1-2-18(14-19)16-4-6-17(7-5-16)22(29)27-10-12-28(13-11-27)23(30)24(31)8-9-24/h1-7,14-15,23,30-31H,8-13,25H2
InChIKeyYEVJYEIRLNWAEX-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.19
Rot. Bonds5

About [4-[3-(5-amino-1,2-oxazol-3-yl)phenyl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone

[4-[3-(5-amino-1,2-oxazol-3-yl)phenyl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone (PubChem CID 139379723) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is [4-[3-(5-amino-1,2-oxazol-3-yl)phenyl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[3-(5-amino-1,2-oxazol-3-yl)phenyl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone
PubChem CID139379723
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name[4-[3-(5-amino-1,2-oxazol-3-yl)phenyl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone
SMILESNc1cc(-c2cccc(-c3ccc(C(=O)N4CCN(C(O)C5(O)CC5)CC4)cc3)c2)no1
InChIInChI=1S/C24H26N4O4/c25-21-15-20(26-32-21)19-3-1-2-18(14-19)16-4-6-17(7-5-16)22(29)27-10-12-28(13-11-27)23(30)24(31)8-9-24/h1-7,14-15,23,30-31H,8-13,25H2
InChIKeyYEVJYEIRLNWAEX-UHFFFAOYSA-N
XLogP2.19
TPSA116.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [4-[3-(5-amino-1,2-oxazol-3-yl)phenyl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[3-(2-hydroxyethyl)-1H-indol-5-yl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone
CID 155197004
[4-[3-(1,2-oxazol-3-yl)phenyl]phenyl]-piperazin-1-ylmethanone
CID 151156326
[4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 91665654
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791
[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275794
3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide
CID 175964567
[4-[(2S)-butan-2-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 796451
(4-methylsulfonylpiperazin-1-yl)-[4-(3-propan-2-ylphenyl)phenyl]methanone
CID 169277909
[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 110328575
3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 3382841
N-hydroxy-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
CID 139377421
(5-amino-1,2-oxazol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 117214996

Frequently Asked Questions

What is the IUPAC name of [4-[3-(5-amino-1,2-oxazol-3-yl)phenyl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [4-[3-(5-amino-1,2-oxazol-3-yl)phenyl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone (CID 139379723) is [4-[3-(5-amino-1,2-oxazol-3-yl)phenyl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-[3-(5-amino-1,2-oxazol-3-yl)phenyl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [4-[3-(5-amino-1,2-oxazol-3-yl)phenyl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone is Nc1cc(-c2cccc(-c3ccc(C(=O)N4CCN(C(O)C5(O)CC5)CC4)cc3)c2)no1.
What is the InChIKey of [4-[3-(5-amino-1,2-oxazol-3-yl)phenyl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone?
The InChIKey is YEVJYEIRLNWAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c25-21-15-20(26-32-21)19-3-1-2-18(14-19)16-4-6-17(7-5-16)22(29)27-10-12-28(13-11-27)23(30)24(31)8-9-24/h1-7,14-15,23,30-31H,8-13,25H2.
What are the key properties of [4-[3-(5-amino-1,2-oxazol-3-yl)phenyl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone?
[4-[3-(5-amino-1,2-oxazol-3-yl)phenyl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone has a molecular weight of 434.50 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(5-amino-1,2-oxazol-3-yl)phenyl]phenyl]-[4-[hydroxy-(1-hydroxycyclopropyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 139379723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).