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

C24H29FN2O4 — CID 70244470

IUPAC1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-propan-2-yloxyphenoxy)propan-2-ol
SMILESCC(C)Oc1ccccc1OCC(O)CN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C24H29FN2O4/c1-16(2)30-22-6-4-3-5-21(22)29-15-19(28)14-27-11-9-17(10-12-27)24-20-8-7-18(25)13-23(20)31-26-24/h3-8,13,16-17,19,28H,9-12,14-15H2,1-2H3
InChIKeyKKNWJENBMAXBLF-UHFFFAOYSA-N
MW428.50 g/mol
LogP4.37
Rot. Bonds8

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

1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-propan-2-yloxyphenoxy)propan-2-ol (PubChem CID 70244470) has the molecular formula C24H29FN2O4 and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-propan-2-yloxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-propan-2-yloxyphenoxy)propan-2-ol
PubChem CID70244470
Molecular FormulaC24H29FN2O4
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-propan-2-yloxyphenoxy)propan-2-ol
SMILESCC(C)Oc1ccccc1OCC(O)CN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C24H29FN2O4/c1-16(2)30-22-6-4-3-5-21(22)29-15-19(28)14-27-11-9-17(10-12-27)24-20-8-7-18(25)13-23(20)31-26-24/h3-8,13,16-17,19,28H,9-12,14-15H2,1-2H3
InChIKeyKKNWJENBMAXBLF-UHFFFAOYSA-N
XLogP4.37
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-propan-2-yloxyphenoxy)propan-2-ol with MolForge

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Related Compounds

1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 140972247
6-fluoro-3-[1-[2-(4-fluorophenoxy)-2-phenylethyl]piperidin-4-yl]-1,2-benzoxazole
CID 58057988
[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropyl] N-methylcarbamate
CID 67071116
(E)-but-2-enedioic acid;3-[1-[2-(1,3-dihydroisoindol-2-yl)propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 18467304
2-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-hydroxybutyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 14576387
(E)-but-2-enedioic acid;[(2R)-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropyl] ethaneperoxoate
CID 22867481
N-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide
CID 155980716
3-[1-[3-(2,3-dimethoxyphenoxy)propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 19599785
6-fluoro-3-[1-(3-pyrimidin-2-yloxypropyl)piperidin-4-yl]-1,2-benzoxazole
CID 15384967
6-fluoro-3-[1-[3-(7-fluoronaphthalen-1-yl)oxypropyl]piperidin-4-yl]-1,2-benzoxazole;hydrochloride
CID 70245042
6-fluoro-3-(1-heptylpiperidin-4-yl)-1,2-benzoxazole
CID 174359166
6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole
CID 138038779

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-propan-2-yloxyphenoxy)propan-2-ol?
The IUPAC name of 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-propan-2-yloxyphenoxy)propan-2-ol (CID 70244470) is 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-propan-2-yloxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-propan-2-yloxyphenoxy)propan-2-ol?
The canonical SMILES for 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-propan-2-yloxyphenoxy)propan-2-ol is CC(C)Oc1ccccc1OCC(O)CN1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-propan-2-yloxyphenoxy)propan-2-ol?
The InChIKey is KKNWJENBMAXBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O4/c1-16(2)30-22-6-4-3-5-21(22)29-15-19(28)14-27-11-9-17(10-12-27)24-20-8-7-18(25)13-23(20)31-26-24/h3-8,13,16-17,19,28H,9-12,14-15H2,1-2H3.
What are the key properties of 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-propan-2-yloxyphenoxy)propan-2-ol?
1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-propan-2-yloxyphenoxy)propan-2-ol has a molecular weight of 428.50 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-propan-2-yloxyphenoxy)propan-2-ol is sourced from PubChem (CID 70244470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).