3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-4-[(4-fluoropiperidin-4-yl)methoxymethyl]-1,2-oxazole

C19H21ClF2N2O2 — CID 146244928

IUPAC3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-4-[(4-fluoropiperidin-4-yl)methoxymethyl]-1,2-oxazole
SMILESFc1cccc(Cl)c1-c1noc(C2CC2)c1COCC1(F)CCNCC1
InChIInChI=1S/C19H21ClF2N2O2/c20-14-2-1-3-15(21)16(14)17-13(18(26-24-17)12-4-5-12)10-25-11-19(22)6-8-23-9-7-19/h1-3,12,23H,4-11H2
InChIKeyCEBLXZIKIPNBHM-UHFFFAOYSA-N
MW382.84 g/mol
LogP4.62
Rot. Bonds6

About 3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-4-[(4-fluoropiperidin-4-yl)methoxymethyl]-1,2-oxazole

3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-4-[(4-fluoropiperidin-4-yl)methoxymethyl]-1,2-oxazole (PubChem CID 146244928) has the molecular formula C19H21ClF2N2O2 and a molecular weight of 382.84 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-4-[(4-fluoropiperidin-4-yl)methoxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-4-[(4-fluoropiperidin-4-yl)methoxymethyl]-1,2-oxazole
PubChem CID146244928
Molecular FormulaC19H21ClF2N2O2
Molecular Weight382.84 g/mol
Exact Mass382.13
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-4-[(4-fluoropiperidin-4-yl)methoxymethyl]-1,2-oxazole
SMILESFc1cccc(Cl)c1-c1noc(C2CC2)c1COCC1(F)CCNCC1
InChIInChI=1S/C19H21ClF2N2O2/c20-14-2-1-3-15(21)16(14)17-13(18(26-24-17)12-4-5-12)10-25-11-19(22)6-8-23-9-7-19/h1-3,12,23H,4-11H2
InChIKeyCEBLXZIKIPNBHM-UHFFFAOYSA-N
XLogP4.62
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-4-[(4-fluoropiperidin-4-yl)methoxymethyl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[[3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1H-indazole-6-carboxylic acid
CID 153361482
3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxymethyl]-2-oxabicyclo[2.2.2]octan-1-yl]benzonitrile
CID 138584762
4-(bromomethyl)-5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole
CID 155223675
5-cyclopropyl-4-[(2,5-dichlorophenoxy)methyl]-3-(2,6-dichlorophenyl)-1,2-oxazole
CID 152548386
(3R,3aR,6R,6aR)-6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;(3S,3aR,6R,6aR)-6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 159143355
3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazole-4-carbaldehyde
CID 164823176
4-[5-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxymethyl]-1-bicyclo[2.2.2]octanyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 138602041
2-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]isoindole-1,3-dione
CID 163217211
3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-methylbicyclo[3.2.1]octan-8-ol
CID 155297996
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-yloxymethyl)-1,2-oxazole
CID 155297915
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[[(2R,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2-oxazole;hydrochloride
CID 164566788
4-[[(1S,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;hydroiodide
CID 134285103

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-4-[(4-fluoropiperidin-4-yl)methoxymethyl]-1,2-oxazole?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-4-[(4-fluoropiperidin-4-yl)methoxymethyl]-1,2-oxazole (CID 146244928) is 3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-4-[(4-fluoropiperidin-4-yl)methoxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-4-[(4-fluoropiperidin-4-yl)methoxymethyl]-1,2-oxazole?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-4-[(4-fluoropiperidin-4-yl)methoxymethyl]-1,2-oxazole is Fc1cccc(Cl)c1-c1noc(C2CC2)c1COCC1(F)CCNCC1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-4-[(4-fluoropiperidin-4-yl)methoxymethyl]-1,2-oxazole?
The InChIKey is CEBLXZIKIPNBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF2N2O2/c20-14-2-1-3-15(21)16(14)17-13(18(26-24-17)12-4-5-12)10-25-11-19(22)6-8-23-9-7-19/h1-3,12,23H,4-11H2.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-4-[(4-fluoropiperidin-4-yl)methoxymethyl]-1,2-oxazole?
3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-4-[(4-fluoropiperidin-4-yl)methoxymethyl]-1,2-oxazole has a molecular weight of 382.84 g/mol, XLogP of 4.62, 6 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-cyclopropyl-4-[(4-fluoropiperidin-4-yl)methoxymethyl]-1,2-oxazole is sourced from PubChem (CID 146244928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).