[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methanone

C24H20ClF3N4O2 — CID 23146306

IUPAC[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCCCC1Cc1nc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C24H20ClF3N4O2/c1-12-19(23(31-34-12)20-14(25)6-4-7-15(20)26)24(33)32-10-3-2-5-13(32)11-18-29-17-9-8-16(27)21(28)22(17)30-18/h4,6-9,13H,2-3,5,10-11H2,1H3,(H,29,30)
InChIKeyFWVFDQHIMMYZNK-UHFFFAOYSA-N
MW488.90 g/mol
LogP5.83
Rot. Bonds4

About [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methanone

[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 23146306) has the molecular formula C24H20ClF3N4O2 and a molecular weight of 488.90 g/mol. Its IUPAC name is [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID23146306
Molecular FormulaC24H20ClF3N4O2
Molecular Weight488.90 g/mol
Exact Mass488.12
IUPAC Name[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCCCC1Cc1nc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C24H20ClF3N4O2/c1-12-19(23(31-34-12)20-14(25)6-4-7-15(20)26)24(33)32-10-3-2-5-13(32)11-18-29-17-9-8-16(27)21(28)22(17)30-18/h4,6-9,13H,2-3,5,10-11H2,1H3,(H,29,30)
InChIKeyFWVFDQHIMMYZNK-UHFFFAOYSA-N
XLogP5.83
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.90
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 95269639
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
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[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
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[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 50809168
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 93070162
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
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[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 16529318
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 120660254
2-(3,4-dimethoxyphenyl)ethyl 1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-2-carboxylate
CID 44765523
[4-(1-aminoethyl)piperidin-1-yl]-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone;hydrochloride
CID 119517807
1-[4-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-2-methylpiperazin-1-yl]dodecan-1-one
CID 5012859
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 34342771

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methanone (CID 23146306) is [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methanone is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCCCC1Cc1nc2c(F)c(F)ccc2[nH]1.
What is the InChIKey of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is FWVFDQHIMMYZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N4O2/c1-12-19(23(31-34-12)20-14(25)6-4-7-15(20)26)24(33)32-10-3-2-5-13(32)11-18-29-17-9-8-16(27)21(28)22(17)30-18/h4,6-9,13H,2-3,5,10-11H2,1H3,(H,29,30).
What are the key properties of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methanone?
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 488.90 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 23146306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).