4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylcyclohexane-1-carboxamide

C24H26ClFN4O2S — CID 54575644

IUPAC4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylcyclohexane-1-carboxamide
SMILESCCNC(=O)C1CCC(NCc2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)CC1
InChIInChI=1S/C24H26ClFN4O2S/c1-2-27-22(31)15-5-10-19(11-6-15)28-14-20-24(33-21-12-7-17(25)13-29-21)32-23(30-20)16-3-8-18(26)9-4-16/h3-4,7-9,12-13,15,19,28H,2,5-6,10-11,14H2,1H3,(H,27,31)
InChIKeyGSBQWTIKHMOAMZ-UHFFFAOYSA-N
MW489.02 g/mol
LogP5.46
Rot. Bonds8

About 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylcyclohexane-1-carboxamide

4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylcyclohexane-1-carboxamide (PubChem CID 54575644) has the molecular formula C24H26ClFN4O2S and a molecular weight of 489.02 g/mol. Its IUPAC name is 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylcyclohexane-1-carboxamide
PubChem CID54575644
Molecular FormulaC24H26ClFN4O2S
Molecular Weight489.02 g/mol
Exact Mass488.14
IUPAC Name4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylcyclohexane-1-carboxamide
SMILESCCNC(=O)C1CCC(NCc2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)CC1
InChIInChI=1S/C24H26ClFN4O2S/c1-2-27-22(31)15-5-10-19(11-6-15)28-14-20-24(33-21-12-7-17(25)13-29-21)32-23(30-20)16-3-8-18(26)9-4-16/h3-4,7-9,12-13,15,19,28H,2,5-6,10-11,14H2,1H3,(H,27,31)
InChIKeyGSBQWTIKHMOAMZ-UHFFFAOYSA-N
XLogP5.46
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.02
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylcyclohexane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-4-(oxan-4-yloxymethyl)-1,3-oxazole
CID 54575521
5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-oxazole
CID 54575399
4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 54575467
5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-oxazole
CID 54575400
4-(1,3-benzodioxol-5-yloxymethyl)-5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazole
CID 54575401
5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-4-(1-methylsulfonylpiperidin-4-yl)-1,3-oxazole;2,2,2-trifluoroacetic acid
CID 44815979
N-[[3-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluorophenyl]methyl]cyclopropanamine
CID 106534211
5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-4-[6-[(S)-methylsulfinyl]-3-pyridinyl]-1,3-oxazole
CID 66872311
[6-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]pyridazin-3-yl]methanesulfinic acid
CID 175276283
4-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(oxan-4-yl)-1,3-oxazol-4-yl]-N-ethylpiperidine-1-carboxamide
CID 53494184
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 122175211
N-butyl-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859816

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylcyclohexane-1-carboxamide?
The IUPAC name of 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylcyclohexane-1-carboxamide (CID 54575644) is 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylcyclohexane-1-carboxamide is CCNC(=O)C1CCC(NCc2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)CC1.
What is the InChIKey of 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylcyclohexane-1-carboxamide?
The InChIKey is GSBQWTIKHMOAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O2S/c1-2-27-22(31)15-5-10-19(11-6-15)28-14-20-24(33-21-12-7-17(25)13-29-21)32-23(30-20)16-3-8-18(26)9-4-16/h3-4,7-9,12-13,15,19,28H,2,5-6,10-11,14H2,1H3,(H,27,31).
What are the key properties of 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylcyclohexane-1-carboxamide?
4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylcyclohexane-1-carboxamide has a molecular weight of 489.02 g/mol, XLogP of 5.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-N-ethylcyclohexane-1-carboxamide is sourced from PubChem (CID 54575644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).