2-(4-fluorophenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole

C24H23FN2O — CID 26322515

IUPAC2-(4-fluorophenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole
SMILESCc1oc(-c2ccc(F)cc2)nc1CN1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C24H23FN2O/c1-17-22(26-23(28-17)19-6-8-20(25)9-7-19)16-27-14-12-24(13-15-27)11-10-18-4-2-3-5-21(18)24/h2-11H,12-16H2,1H3
InChIKeyFLXJNTJGTZGNDQ-UHFFFAOYSA-N
MW374.46 g/mol
LogP5.35
Rot. Bonds3

About 2-(4-fluorophenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole

2-(4-fluorophenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole (PubChem CID 26322515) has the molecular formula C24H23FN2O and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole
PubChem CID26322515
Molecular FormulaC24H23FN2O
Molecular Weight374.46 g/mol
Exact Mass374.18
IUPAC Name2-(4-fluorophenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole
SMILESCc1oc(-c2ccc(F)cc2)nc1CN1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C24H23FN2O/c1-17-22(26-23(28-17)19-6-8-20(25)9-7-19)16-27-14-12-24(13-15-27)11-10-18-4-2-3-5-21(18)24/h2-11H,12-16H2,1H3
InChIKeyFLXJNTJGTZGNDQ-UHFFFAOYSA-N
XLogP5.35
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.46
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole
CID 42455200
2-(4-fluorophenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42210352
1'-[[5-methyl-2-(4-pyridin-4-ylphenyl)-1,3-oxazol-4-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 172549605
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)-5-methyl-1,3-oxazole
CID 42094310
4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-[4-(triazol-2-yl)phenyl]-1,3-oxazole
CID 172549653
2-(4-ethylphenyl)-5-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 163516668
2-(3,5-difluorophenyl)-5-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole
CID 30956715
1'-[(2,4,5-trimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]
CID 30979223
(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol
CID 95348668
1'-[(4-methoxy-3-methylphenyl)methyl]spiro[indene-1,4'-piperidine]
CID 23961281
furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 25382829
5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 52675581

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole (CID 26322515) is 2-(4-fluorophenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole is Cc1oc(-c2ccc(F)cc2)nc1CN1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole?
The InChIKey is FLXJNTJGTZGNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O/c1-17-22(26-23(28-17)19-6-8-20(25)9-7-19)16-27-14-12-24(13-15-27)11-10-18-4-2-3-5-21(18)24/h2-11H,12-16H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole?
2-(4-fluorophenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole has a molecular weight of 374.46 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 26322515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).