3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole

C23H29N5O3 — CID 92563106

IUPAC3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
SMILESCOc1cc(CN2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)ccc1OC(C)C
InChIInChI=1S/C23H29N5O3/c1-15(2)30-20-6-5-17(11-21(20)29-4)14-28-9-7-18(8-10-28)22-26-23(31-27-22)19-13-24-16(3)12-25-19/h5-6,11-13,15,18H,7-10,14H2,1-4H3
InChIKeyIESGCIOTZNLCDD-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.01
Rot. Bonds7

About 3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole

3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole (PubChem CID 92563106) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
PubChem CID92563106
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
SMILESCOc1cc(CN2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)ccc1OC(C)C
InChIInChI=1S/C23H29N5O3/c1-15(2)30-20-6-5-17(11-21(20)29-4)14-28-9-7-18(8-10-28)22-26-23(31-27-22)19-13-24-16(3)12-25-19/h5-6,11-13,15,18H,7-10,14H2,1-4H3
InChIKeyIESGCIOTZNLCDD-UHFFFAOYSA-N
XLogP4.01
TPSA86.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole
CID 92563198
3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120826315
4-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-5-pyrimidin-5-ylpyrimidin-2-amine
CID 127248706
2-(3,4-dimethylphenoxy)-1-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
CID 110221259
4-[2-methoxy-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenyl]-1H-pyrazole-5-carbonitrile
CID 165428332
3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
CID 92562032
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-amine
CID 53178425
5-[3-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 110223562
4-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136765574
4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-propan-2-yl-5-pyridin-3-ylpyrimidin-2-amine
CID 46953910
5-(5-methylpyrazin-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916447
3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809492

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole (CID 92563106) is 3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole is COc1cc(CN2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)ccc1OC(C)C.
What is the InChIKey of 3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is IESGCIOTZNLCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-15(2)30-20-6-5-17(11-21(20)29-4)14-28-9-7-18(8-10-28)22-26-23(31-27-22)19-13-24-16(3)12-25-19/h5-6,11-13,15,18H,7-10,14H2,1-4H3.
What are the key properties of 3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole?
3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 423.52 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 92563106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).