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

C24H23FN4O3 — CID 97446335

IUPAC[4-(dimethylamino)piperidin-1-yl]-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc3onc(-c4coc(-c5ccc(F)cc5)n4)c3c2)CC1
InChIInChI=1S/C24H23FN4O3/c1-28(2)18-9-11-29(12-10-18)24(30)16-5-8-21-19(13-16)22(27-32-21)20-14-31-23(26-20)15-3-6-17(25)7-4-15/h3-8,13-14,18H,9-12H2,1-2H3
InChIKeyLPZQPYADODJPJQ-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.46
Rot. Bonds4

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

[4-(dimethylamino)piperidin-1-yl]-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]methanone (PubChem CID 97446335) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is [4-(dimethylamino)piperidin-1-yl]-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)piperidin-1-yl]-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]methanone
PubChem CID97446335
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name[4-(dimethylamino)piperidin-1-yl]-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc3onc(-c4coc(-c5ccc(F)cc5)n4)c3c2)CC1
InChIInChI=1S/C24H23FN4O3/c1-28(2)18-9-11-29(12-10-18)24(30)16-5-8-21-19(13-16)22(27-32-21)20-14-31-23(26-20)15-3-6-17(25)7-4-15/h3-8,13-14,18H,9-12H2,1-2H3
InChIKeyLPZQPYADODJPJQ-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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Related Compounds

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
1-(3-ethylisoxazol-5-yl)-N-{[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methylmethanamine
CID 56917718
N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97407378

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]methanone?
The IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]methanone (CID 97446335) is [4-(dimethylamino)piperidin-1-yl]-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)piperidin-1-yl]-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]methanone?
The canonical SMILES for [4-(dimethylamino)piperidin-1-yl]-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]methanone is CN(C)C1CCN(C(=O)c2ccc3onc(-c4coc(-c5ccc(F)cc5)n4)c3c2)CC1.
What is the InChIKey of [4-(dimethylamino)piperidin-1-yl]-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]methanone?
The InChIKey is LPZQPYADODJPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-28(2)18-9-11-29(12-10-18)24(30)16-5-8-21-19(13-16)22(27-32-21)20-14-31-23(26-20)15-3-6-17(25)7-4-15/h3-8,13-14,18H,9-12H2,1-2H3.
What are the key properties of [4-(dimethylamino)piperidin-1-yl]-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]methanone?
[4-(dimethylamino)piperidin-1-yl]-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-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 [4-(dimethylamino)piperidin-1-yl]-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]methanone is sourced from PubChem (CID 97446335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).