2-methyl-5-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile

C18H16N4O — CID 155969690

IUPAC2-methyl-5-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
SMILESCc1ncc(-c2nc(-c3ccc(C(C)C)cc3)no2)cc1C#N
InChIInChI=1S/C18H16N4O/c1-11(2)13-4-6-14(7-5-13)17-21-18(23-22-17)16-8-15(9-19)12(3)20-10-16/h4-8,10-11H,1-3H3
InChIKeyRZXVLVOPKMKJRP-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.10
Rot. Bonds3

About 2-methyl-5-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile

2-methyl-5-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile (PubChem CID 155969690) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-methyl-5-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
PubChem CID155969690
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-methyl-5-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
SMILESCc1ncc(-c2nc(-c3ccc(C(C)C)cc3)no2)cc1C#N
InChIInChI=1S/C18H16N4O/c1-11(2)13-4-6-14(7-5-13)17-21-18(23-22-17)16-8-15(9-19)12(3)20-10-16/h4-8,10-11H,1-3H3
InChIKeyRZXVLVOPKMKJRP-UHFFFAOYSA-N
XLogP4.10
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 167910959
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2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 82120608
5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile
CID 13079832
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
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2-methyl-1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 43625121
5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-propan-2-yloxybenzonitrile
CID 148962938
2,2-dimethyl-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
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5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 931247
4-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]aniline
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(1S)-1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107144899
5-[3-[4-(3-hydroxyoxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-5-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile (CID 155969690) is 2-methyl-5-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-5-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-5-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile is Cc1ncc(-c2nc(-c3ccc(C(C)C)cc3)no2)cc1C#N.
What is the InChIKey of 2-methyl-5-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
The InChIKey is RZXVLVOPKMKJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-11(2)13-4-6-14(7-5-13)17-21-18(23-22-17)16-8-15(9-19)12(3)20-10-16/h4-8,10-11H,1-3H3.
What are the key properties of 2-methyl-5-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
2-methyl-5-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile has a molecular weight of 304.35 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 155969690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).