4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-[4-(triazol-2-yl)phenyl]-1,3-oxazole

C24H24FN5O — CID 172549653

IUPAC4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-[4-(triazol-2-yl)phenyl]-1,3-oxazole
SMILESCc1oc(-c2ccc(-n3nccn3)cc2)nc1CN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H24FN5O/c1-17-23(16-29-14-10-19(11-15-29)18-2-6-21(25)7-3-18)28-24(31-17)20-4-8-22(9-5-20)30-26-12-13-27-30/h2-9,12-13,19H,10-11,14-16H2,1H3
InChIKeyXVQMTAHENZQOHR-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.75
Rot. Bonds5

About 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-[4-(triazol-2-yl)phenyl]-1,3-oxazole

4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-[4-(triazol-2-yl)phenyl]-1,3-oxazole (PubChem CID 172549653) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-[4-(triazol-2-yl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-[4-(triazol-2-yl)phenyl]-1,3-oxazole
PubChem CID172549653
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-[4-(triazol-2-yl)phenyl]-1,3-oxazole
SMILESCc1oc(-c2ccc(-n3nccn3)cc2)nc1CN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H24FN5O/c1-17-23(16-29-14-10-19(11-15-29)18-2-6-21(25)7-3-18)28-24(31-17)20-4-8-22(9-5-20)30-26-12-13-27-30/h2-9,12-13,19H,10-11,14-16H2,1H3
InChIKeyXVQMTAHENZQOHR-UHFFFAOYSA-N
XLogP4.75
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42210352
2-(furan-3-yl)-5-methyl-4-[(4-phenylpiperidin-1-yl)methyl]-1,3-oxazole
CID 42401935
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)-5-methyl-1,3-oxazole
CID 42094310
5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 56878040
2-(4-fluorophenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole
CID 26322515
4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(4-chlorophenyl)-5-methyl-1,3-oxazole
CID 42530326
(3R)-N,N-diethyl-1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 42214496
2-(4-ethylphenyl)-5-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 163516668
[1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 24792954
2-(3,5-difluorophenyl)-5-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole
CID 30956715
1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 110923157
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 6620480

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-[4-(triazol-2-yl)phenyl]-1,3-oxazole?
The IUPAC name of 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-[4-(triazol-2-yl)phenyl]-1,3-oxazole (CID 172549653) is 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-[4-(triazol-2-yl)phenyl]-1,3-oxazole.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-[4-(triazol-2-yl)phenyl]-1,3-oxazole?
The canonical SMILES for 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-[4-(triazol-2-yl)phenyl]-1,3-oxazole is Cc1oc(-c2ccc(-n3nccn3)cc2)nc1CN1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-[4-(triazol-2-yl)phenyl]-1,3-oxazole?
The InChIKey is XVQMTAHENZQOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-17-23(16-29-14-10-19(11-15-29)18-2-6-21(25)7-3-18)28-24(31-17)20-4-8-22(9-5-20)30-26-12-13-27-30/h2-9,12-13,19H,10-11,14-16H2,1H3.
What are the key properties of 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-[4-(triazol-2-yl)phenyl]-1,3-oxazole?
4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-[4-(triazol-2-yl)phenyl]-1,3-oxazole has a molecular weight of 417.49 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-[4-(triazol-2-yl)phenyl]-1,3-oxazole is sourced from PubChem (CID 172549653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).