5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole

C24H29N3O2 — CID 22727335

IUPAC5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole
SMILESCOc1ccccc1N1CCN(CCCCc2cc(-c3ccccc3)no2)CC1
InChIInChI=1S/C24H29N3O2/c1-28-24-13-6-5-12-23(24)27-17-15-26(16-18-27)14-8-7-11-21-19-22(25-29-21)20-9-3-2-4-10-20/h2-6,9-10,12-13,19H,7-8,11,14-18H2,1H3
InChIKeyNBCNQEXSFAAUHI-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.50
Rot. Bonds8

About 5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole

5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole (PubChem CID 22727335) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole
PubChem CID22727335
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole
SMILESCOc1ccccc1N1CCN(CCCCc2cc(-c3ccccc3)no2)CC1
InChIInChI=1S/C24H29N3O2/c1-28-24-13-6-5-12-23(24)27-17-15-26(16-18-27)14-8-7-11-21-19-22(25-29-21)20-9-3-2-4-10-20/h2-6,9-10,12-13,19H,7-8,11,14-18H2,1H3
InChIKeyNBCNQEXSFAAUHI-UHFFFAOYSA-N
XLogP4.50
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-1,2-oxazole
CID 22727360
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3-benzothiazole
CID 160888047
1-[4-[5-(methoxymethyl)-1-phenylpyrazol-3-yl]butyl]-4-(2-methoxyphenyl)piperazine
CID 142706669
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 155941923
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 1318256
5-[4-(4-phenylpiperazin-1-yl)butyl]-3-thiophen-2-yl-1,2-oxazole
CID 22727358
5-hexyl-3-phenyl-1,2-oxazole
CID 15445646
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid
CID 174365848
1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine
CID 172860872

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole (CID 22727335) is 5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole is COc1ccccc1N1CCN(CCCCc2cc(-c3ccccc3)no2)CC1.
What is the InChIKey of 5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole?
The InChIKey is NBCNQEXSFAAUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-28-24-13-6-5-12-23(24)27-17-15-26(16-18-27)14-8-7-11-21-19-22(25-29-21)20-9-3-2-4-10-20/h2-6,9-10,12-13,19H,7-8,11,14-18H2,1H3.
What are the key properties of 5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole?
5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole has a molecular weight of 391.52 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 22727335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).