5-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile

C19H19N5O3 — CID 155943252

IUPAC5-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(-c2noc(C3CCN(c4oc(C)nc4C#N)CC3)n2)cc1
InChIInChI=1S/C19H19N5O3/c1-12-21-16(11-20)19(26-12)24-9-7-14(8-10-24)18-22-17(23-27-18)13-3-5-15(25-2)6-4-13/h3-6,14H,7-10H2,1-2H3
InChIKeyIGIYRCABOSOOON-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.30
Rot. Bonds4

About 5-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile

5-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile (PubChem CID 155943252) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 5-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
PubChem CID155943252
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name5-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(-c2noc(C3CCN(c4oc(C)nc4C#N)CC3)n2)cc1
InChIInChI=1S/C19H19N5O3/c1-12-21-16(11-20)19(26-12)24-9-7-14(8-10-24)18-22-17(23-27-18)13-3-5-15(25-2)6-4-13/h3-6,14H,7-10H2,1-2H3
InChIKeyIGIYRCABOSOOON-UHFFFAOYSA-N
XLogP3.30
TPSA101.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile
CID 39835355
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde
CID 137439420
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 3590042
3-(4-methoxyphenyl)-5-[1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 46096607
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 42760461
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 91946497
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 5138460
1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 42760440
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 91946535
(2-bromophenyl)-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3942200
cis-(1S,3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323187
3-(4-methoxyphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838044

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile (CID 155943252) is 5-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile is COc1ccc(-c2noc(C3CCN(c4oc(C)nc4C#N)CC3)n2)cc1.
What is the InChIKey of 5-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile?
The InChIKey is IGIYRCABOSOOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-12-21-16(11-20)19(26-12)24-9-7-14(8-10-24)18-22-17(23-27-18)13-3-5-15(25-2)6-4-13/h3-6,14H,7-10H2,1-2H3.
What are the key properties of 5-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile?
5-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile has a molecular weight of 365.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 155943252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).