[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C24H23FN4O3 — CID 97361856

IUPAC[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3onc(-c4coc(-c5ccc(F)cc5)n4)c3c2)CC1
InChIInChI=1S/C24H23FN4O3/c1-15(2)28-9-11-29(12-10-28)24(30)17-5-8-21-19(13-17)22(27-32-21)20-14-31-23(26-20)16-3-6-18(25)7-4-16/h3-8,13-15H,9-12H2,1-2H3
InChIKeyXTXCPLYBIIAXAK-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.46
Rot. Bonds4

About [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 97361856) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID97361856
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3onc(-c4coc(-c5ccc(F)cc5)n4)c3c2)CC1
InChIInChI=1S/C24H23FN4O3/c1-15(2)28-9-11-29(12-10-28)24(30)17-5-8-21-19(13-17)22(27-32-21)20-14-31-23(26-20)16-3-6-18(25)7-4-16/h3-8,13-15H,9-12H2,1-2H3
InChIKeyXTXCPLYBIIAXAK-UHFFFAOYSA-N
XLogP4.46
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-[1-(3-isoxazolyl)ethyl]-2-(4-methoxybenzyl)-N-methyl-1,3-benzoxazole-6-carboxamide
CID 24790227
3-[1-[3-[4-(1,3-Benzoxazol-2-yl)phenoxy]propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196373
2-[4-[3-[4-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]-5-methyl-1,3-benzoxazole
CID 122196375
3-[1-[3-[4-(1,3-Benzoxazol-2-yl)-2-methylphenoxy]propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196377
3-[1-[3-[4-(1,3-Benzoxazol-2-yl)-3-methoxyphenoxy]propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196378
3-[1-[3-[4-(1,3-Benzoxazol-2-yl)-3-fluorophenoxy]propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196379
3-[1-[3-[4-(1,3-Benzoxazol-2-ylmethyl)phenoxy]propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196381
3-[1-[4-[4-(1,3-Benzoxazol-2-yl)phenoxy]butyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196382
3-[1-[3-[4-[2-(1,3-Benzoxazol-2-yl)ethyl]phenoxy]propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196384
3-[1-[3-[4-[1-(1,3-Benzoxazol-2-yl)ethyl]phenoxy]propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196385
(1-Isoxazol-3-ylethyl){[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}methylamine
CID 16192044
3-[[2-Fluoro-4-[3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]phenoxy]methyl]benzonitrile
CID 164623628

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 97361856) is [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc3onc(-c4coc(-c5ccc(F)cc5)n4)c3c2)CC1.
What is the InChIKey of [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is XTXCPLYBIIAXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-15(2)28-9-11-29(12-10-28)24(30)17-5-8-21-19(13-17)22(27-32-21)20-14-31-23(26-20)16-3-6-18(25)7-4-16/h3-8,13-15H,9-12H2,1-2H3.
What are the key properties of [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 434.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 97361856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).