6-fluoro-3-[1-(3-methoxy-4-methyl-2-propoxyphenyl)piperidin-4-yl]-1,2-benzoxazole

C23H27FN2O3 — CID 57303749

IUPAC6-fluoro-3-[1-(3-methoxy-4-methyl-2-propoxyphenyl)piperidin-4-yl]-1,2-benzoxazole
SMILESCCCOc1c(N2CCC(c3noc4cc(F)ccc34)CC2)ccc(C)c1OC
InChIInChI=1S/C23H27FN2O3/c1-4-13-28-23-19(8-5-15(2)22(23)27-3)26-11-9-16(10-12-26)21-18-7-6-17(24)14-20(18)29-25-21/h5-8,14,16H,4,9-13H2,1-3H3
InChIKeyOZPRWDVSEPXPED-UHFFFAOYSA-N
MW398.48 g/mol
LogP5.46
Rot. Bonds6

About 6-fluoro-3-[1-(3-methoxy-4-methyl-2-propoxyphenyl)piperidin-4-yl]-1,2-benzoxazole

6-fluoro-3-[1-(3-methoxy-4-methyl-2-propoxyphenyl)piperidin-4-yl]-1,2-benzoxazole (PubChem CID 57303749) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 6-fluoro-3-[1-(3-methoxy-4-methyl-2-propoxyphenyl)piperidin-4-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[1-(3-methoxy-4-methyl-2-propoxyphenyl)piperidin-4-yl]-1,2-benzoxazole
PubChem CID57303749
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name6-fluoro-3-[1-(3-methoxy-4-methyl-2-propoxyphenyl)piperidin-4-yl]-1,2-benzoxazole
SMILESCCCOc1c(N2CCC(c3noc4cc(F)ccc34)CC2)ccc(C)c1OC
InChIInChI=1S/C23H27FN2O3/c1-4-13-28-23-19(8-5-15(2)22(23)27-3)26-11-9-16(10-12-26)21-18-7-6-17(24)14-20(18)29-25-21/h5-8,14,16H,4,9-13H2,1-3H3
InChIKeyOZPRWDVSEPXPED-UHFFFAOYSA-N
XLogP5.46
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.48
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-3-[1-(3-methoxy-4-methyl-2-propoxyphenyl)piperidin-4-yl]-1,2-benzoxazole 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

2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-propoxyphenol
CID 67592974
N-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methoxy-2-propoxybenzamide
CID 67593096
5-ethyl-6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-4-methoxyisoindole-1,3-dione;hydrochloride
CID 67559349
3-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 155980403
6-fluoro-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1,2-benzoxazole
CID 163344185
6-fluoro-3-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2-benzoxazole
CID 138038804
3-[1-[3-(2,3-dimethoxyphenoxy)propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 19599785
6-fluoro-3-(1-heptylpiperidin-4-yl)-1,2-benzoxazole
CID 174359166
3-(1-chloropiperidin-4-yl)-6-fluoro-1,2-benzoxazole
CID 89080294
6-fluoro-3-[1-[3-(2-methoxy-4-propylphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole
CID 23373628
6-fluoro-3-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1,2-benzoxazole
CID 163344342
6-fluoro-3-[1-[2-(7-methoxynaphthalen-2-yl)oxyethyl]piperidin-4-yl]-1,2-benzoxazole
CID 70244236

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-(3-methoxy-4-methyl-2-propoxyphenyl)piperidin-4-yl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[1-(3-methoxy-4-methyl-2-propoxyphenyl)piperidin-4-yl]-1,2-benzoxazole (CID 57303749) is 6-fluoro-3-[1-(3-methoxy-4-methyl-2-propoxyphenyl)piperidin-4-yl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[1-(3-methoxy-4-methyl-2-propoxyphenyl)piperidin-4-yl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[1-(3-methoxy-4-methyl-2-propoxyphenyl)piperidin-4-yl]-1,2-benzoxazole is CCCOc1c(N2CCC(c3noc4cc(F)ccc34)CC2)ccc(C)c1OC.
What is the InChIKey of 6-fluoro-3-[1-(3-methoxy-4-methyl-2-propoxyphenyl)piperidin-4-yl]-1,2-benzoxazole?
The InChIKey is OZPRWDVSEPXPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-4-13-28-23-19(8-5-15(2)22(23)27-3)26-11-9-16(10-12-26)21-18-7-6-17(24)14-20(18)29-25-21/h5-8,14,16H,4,9-13H2,1-3H3.
What are the key properties of 6-fluoro-3-[1-(3-methoxy-4-methyl-2-propoxyphenyl)piperidin-4-yl]-1,2-benzoxazole?
6-fluoro-3-[1-(3-methoxy-4-methyl-2-propoxyphenyl)piperidin-4-yl]-1,2-benzoxazole has a molecular weight of 398.48 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-(3-methoxy-4-methyl-2-propoxyphenyl)piperidin-4-yl]-1,2-benzoxazole is sourced from PubChem (CID 57303749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).