2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole

C23H24ClN3O4 — CID 45213463

IUPAC2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCCC(OCc2cccnc2)C1
InChIInChI=1S/C23H24ClN3O4/c1-15-20(26-23(31-15)18-8-21-22(9-19(18)24)30-14-29-21)12-27-7-3-5-17(11-27)28-13-16-4-2-6-25-10-16/h2,4,6,8-10,17H,3,5,7,11-14H2,1H3
InChIKeyDRUYIXXZSAQABU-UHFFFAOYSA-N
MW441.92 g/mol
LogP4.61
Rot. Bonds6

About 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole

2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 45213463) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID45213463
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCCC(OCc2cccnc2)C1
InChIInChI=1S/C23H24ClN3O4/c1-15-20(26-23(31-15)18-8-21-22(9-19(18)24)30-14-29-21)12-27-7-3-5-17(11-27)28-13-16-4-2-6-25-10-16/h2,4,6,8-10,17H,3,5,7,11-14H2,1H3
InChIKeyDRUYIXXZSAQABU-UHFFFAOYSA-N
XLogP4.61
TPSA69.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1,3-benzodioxol-5-yl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42241704
4-chloro-1-methyl-3-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]indazole
CID 95714091
2-(3,5-difluorophenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 45212654
2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol
CID 56885233
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 45214788
4-chloro-N,N-dimethyl-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 95718512
N,N-dimethyl-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyridin-2-amine
CID 95714836
(2S,6R)-4-[1-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 29257826
3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42100655
5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole
CID 42100915
3-[[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 56913051
5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole
CID 56711543

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole (CID 45213463) is 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole is Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCCC(OCc2cccnc2)C1.
What is the InChIKey of 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is DRUYIXXZSAQABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-15-20(26-23(31-15)18-8-21-22(9-19(18)24)30-14-29-21)12-27-7-3-5-17(11-27)28-13-16-4-2-6-25-10-16/h2,4,6,8-10,17H,3,5,7,11-14H2,1H3.
What are the key properties of 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole?
2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 441.92 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 45213463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).