2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(5-fluoro-1,3-dihydroisoindol-2-yl)propan-1-ol

C23H25F2N3O2 — CID 57339693

IUPAC2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(5-fluoro-1,3-dihydroisoindol-2-yl)propan-1-ol
SMILESOCC(CN1Cc2ccc(F)cc2C1)N1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C23H25F2N3O2/c24-18-2-1-16-11-27(12-17(16)9-18)13-20(14-29)28-7-5-15(6-8-28)23-21-4-3-19(25)10-22(21)30-26-23/h1-4,9-10,15,20,29H,5-8,11-14H2
InChIKeyYCHBCAZCQRJJQZ-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.66
Rot. Bonds5

About 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(5-fluoro-1,3-dihydroisoindol-2-yl)propan-1-ol

2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(5-fluoro-1,3-dihydroisoindol-2-yl)propan-1-ol (PubChem CID 57339693) has the molecular formula C23H25F2N3O2 and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(5-fluoro-1,3-dihydroisoindol-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(5-fluoro-1,3-dihydroisoindol-2-yl)propan-1-ol
PubChem CID57339693
Molecular FormulaC23H25F2N3O2
Molecular Weight413.47 g/mol
Exact Mass413.19
IUPAC Name2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(5-fluoro-1,3-dihydroisoindol-2-yl)propan-1-ol
SMILESOCC(CN1Cc2ccc(F)cc2C1)N1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C23H25F2N3O2/c24-18-2-1-16-11-27(12-17(16)9-18)13-20(14-29)28-7-5-15(6-8-28)23-21-4-3-19(25)10-22(21)30-26-23/h1-4,9-10,15,20,29H,5-8,11-14H2
InChIKeyYCHBCAZCQRJJQZ-UHFFFAOYSA-N
XLogP3.66
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(5-fluoro-1,3-dihydroisoindol-2-yl)propan-1-ol 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

S-18327
CID 9953269
Isoindoline, 8
CID 44215124
Isoindoline, 12
CID 57339694
Isoindoline, 19
CID 57339700
Isoindoline, 14
CID 57339696
Isoindoline, 15
CID 57339697
Isoindoline, 20
CID 57339701
Isoindoline, 26
CID 57339707
(E)-3-(2-(1-benzylpiperidin-4-yl)vinyl)benzo[d]isoxazole
CID 9901561
3-(3-(1-Benzylpiperidin-4-yl)propyl)benzo[d]isoxazole
CID 10246305
Isoindoline, 13
CID 57339695
Isoindoline, 16
CID 57339698

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(5-fluoro-1,3-dihydroisoindol-2-yl)propan-1-ol?
The IUPAC name of 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(5-fluoro-1,3-dihydroisoindol-2-yl)propan-1-ol (CID 57339693) is 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(5-fluoro-1,3-dihydroisoindol-2-yl)propan-1-ol.
What is the SMILES notation for 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(5-fluoro-1,3-dihydroisoindol-2-yl)propan-1-ol?
The canonical SMILES for 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(5-fluoro-1,3-dihydroisoindol-2-yl)propan-1-ol is OCC(CN1Cc2ccc(F)cc2C1)N1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(5-fluoro-1,3-dihydroisoindol-2-yl)propan-1-ol?
The InChIKey is YCHBCAZCQRJJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O2/c24-18-2-1-16-11-27(12-17(16)9-18)13-20(14-29)28-7-5-15(6-8-28)23-21-4-3-19(25)10-22(21)30-26-23/h1-4,9-10,15,20,29H,5-8,11-14H2.
What are the key properties of 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(5-fluoro-1,3-dihydroisoindol-2-yl)propan-1-ol?
2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(5-fluoro-1,3-dihydroisoindol-2-yl)propan-1-ol has a molecular weight of 413.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(5-fluoro-1,3-dihydroisoindol-2-yl)propan-1-ol is sourced from PubChem (CID 57339693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).