[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C23H24FN3O3 — CID 7494471

IUPAC[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1noc(C)c1COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H24FN3O3/c1-16-22(17(2)30-25-16)15-29-21-9-3-18(4-10-21)23(28)27-13-11-26(12-14-27)20-7-5-19(24)6-8-20/h3-10H,11-15H2,1-2H3
InChIKeyYJBIDHYSTNZKER-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.97
Rot. Bonds5

About [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 7494471) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID7494471
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1noc(C)c1COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H24FN3O3/c1-16-22(17(2)30-25-16)15-29-21-9-3-18(4-10-21)23(28)27-13-11-26(12-14-27)20-7-5-19(24)6-8-20/h3-10H,11-15H2,1-2H3
InChIKeyYJBIDHYSTNZKER-UHFFFAOYSA-N
XLogP3.97
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 39566022
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 35743315
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperidine-4-carboxamide
CID 4789023
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112763013
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 29096865
methyl 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51153800
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 30874435
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 8007252
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 29096991
8-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494032
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 44823993
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(4-prop-2-enoxyphenyl)methanone
CID 55644401

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 7494471) is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is Cc1noc(C)c1COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is YJBIDHYSTNZKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-16-22(17(2)30-25-16)15-29-21-9-3-18(4-10-21)23(28)27-13-11-26(12-14-27)20-7-5-19(24)6-8-20/h3-10H,11-15H2,1-2H3.
What are the key properties of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 409.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 7494471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).