3-(2,6-dichlorophenyl)-4-[[(2R)-2-methylpiperidin-4-yl]methyl]-5-propan-2-yl-1,2-oxazole

C19H24Cl2N2O — CID 139461451

IUPAC3-(2,6-dichlorophenyl)-4-[[(2R)-2-methylpiperidin-4-yl]methyl]-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1onc(-c2c(Cl)cccc2Cl)c1CC1CCN[C@H](C)C1
InChIInChI=1S/C19H24Cl2N2O/c1-11(2)19-14(10-13-7-8-22-12(3)9-13)18(23-24-19)17-15(20)5-4-6-16(17)21/h4-6,11-13,22H,7-10H2,1-3H3/t12-,13?/m1/s1
InChIKeySHHLOSWWMUHSMY-PZORYLMUSA-N
MW367.32 g/mol
LogP5.70
Rot. Bonds4

About 3-(2,6-dichlorophenyl)-4-[[(2R)-2-methylpiperidin-4-yl]methyl]-5-propan-2-yl-1,2-oxazole

3-(2,6-dichlorophenyl)-4-[[(2R)-2-methylpiperidin-4-yl]methyl]-5-propan-2-yl-1,2-oxazole (PubChem CID 139461451) has the molecular formula C19H24Cl2N2O and a molecular weight of 367.32 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-4-[[(2R)-2-methylpiperidin-4-yl]methyl]-5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-4-[[(2R)-2-methylpiperidin-4-yl]methyl]-5-propan-2-yl-1,2-oxazole
PubChem CID139461451
Molecular FormulaC19H24Cl2N2O
Molecular Weight367.32 g/mol
Exact Mass366.13
IUPAC Name3-(2,6-dichlorophenyl)-4-[[(2R)-2-methylpiperidin-4-yl]methyl]-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1onc(-c2c(Cl)cccc2Cl)c1CC1CCN[C@H](C)C1
InChIInChI=1S/C19H24Cl2N2O/c1-11(2)19-14(10-13-7-8-22-12(3)9-13)18(23-24-19)17-15(20)5-4-6-16(17)21/h4-6,11-13,22H,7-10H2,1-3H3/t12-,13?/m1/s1
InChIKeySHHLOSWWMUHSMY-PZORYLMUSA-N
XLogP5.70
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.32
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,6-dichlorophenyl)-4-[[(2R)-2-methylpiperidin-4-yl]methyl]-5-propan-2-yl-1,2-oxazole with MolForge

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Related Compounds

(5S)-3-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]bicyclo[3.2.1]octan-8-one
CID 121418867
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[[(2R,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2-oxazole;hydrochloride
CID 164566788
2-[(2R)-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methyl]-2-methylpiperidin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid
CID 139463140
3-(2,6-dichlorophenyl)-4-methyl-5-propan-2-yl-1,2-oxazole;ethane
CID 142343393
4-(bromomethyl)-3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazole;3-(2,6-dichlorophenyl)-5-propan-2-yl-4-[[(1'R,5'S)-spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-yl]oxymethyl]-1,2-oxazole
CID 158644669
CID 153394994
CID 153394994
1-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propan-2-ol
CID 155401373
4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-2-methylphenol
CID 69209967
6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-2-methylpyridin-3-amine
CID 67286881
4-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-methylbenzoic acid
CID 25204970
3-[(2,6-dichlorophenyl)methyl]-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743359
[3-(3,5-dichloro-4-pyridinyl)-5-propan-2-yl-1,2-oxazol-4-yl]methanol
CID 59709040

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-4-[[(2R)-2-methylpiperidin-4-yl]methyl]-5-propan-2-yl-1,2-oxazole?
The IUPAC name of 3-(2,6-dichlorophenyl)-4-[[(2R)-2-methylpiperidin-4-yl]methyl]-5-propan-2-yl-1,2-oxazole (CID 139461451) is 3-(2,6-dichlorophenyl)-4-[[(2R)-2-methylpiperidin-4-yl]methyl]-5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-4-[[(2R)-2-methylpiperidin-4-yl]methyl]-5-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3-(2,6-dichlorophenyl)-4-[[(2R)-2-methylpiperidin-4-yl]methyl]-5-propan-2-yl-1,2-oxazole is CC(C)c1onc(-c2c(Cl)cccc2Cl)c1CC1CCN[C@H](C)C1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-4-[[(2R)-2-methylpiperidin-4-yl]methyl]-5-propan-2-yl-1,2-oxazole?
The InChIKey is SHHLOSWWMUHSMY-PZORYLMUSA-N. The full InChI is InChI=1S/C19H24Cl2N2O/c1-11(2)19-14(10-13-7-8-22-12(3)9-13)18(23-24-19)17-15(20)5-4-6-16(17)21/h4-6,11-13,22H,7-10H2,1-3H3/t12-,13?/m1/s1.
What are the key properties of 3-(2,6-dichlorophenyl)-4-[[(2R)-2-methylpiperidin-4-yl]methyl]-5-propan-2-yl-1,2-oxazole?
3-(2,6-dichlorophenyl)-4-[[(2R)-2-methylpiperidin-4-yl]methyl]-5-propan-2-yl-1,2-oxazole has a molecular weight of 367.32 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-4-[[(2R)-2-methylpiperidin-4-yl]methyl]-5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 139461451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).