5-(2,4-dimethylpyrimidin-5-yl)-3-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole

C16H17N5O — CID 136536975

IUPAC5-(2,4-dimethylpyrimidin-5-yl)-3-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCc1ncc(-c2nc(-c3ccc(C(C)C)nc3)no2)c(C)n1
InChIInChI=1S/C16H17N5O/c1-9(2)14-6-5-12(7-18-14)15-20-16(22-21-15)13-8-17-11(4)19-10(13)3/h5-9H,1-4H3
InChIKeySJGNUFSDSALZRI-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.33
Rot. Bonds3

About 5-(2,4-dimethylpyrimidin-5-yl)-3-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole

5-(2,4-dimethylpyrimidin-5-yl)-3-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 136536975) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 5-(2,4-dimethylpyrimidin-5-yl)-3-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,4-dimethylpyrimidin-5-yl)-3-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID136536975
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name5-(2,4-dimethylpyrimidin-5-yl)-3-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCc1ncc(-c2nc(-c3ccc(C(C)C)nc3)no2)c(C)n1
InChIInChI=1S/C16H17N5O/c1-9(2)14-6-5-12(7-18-14)15-20-16(22-21-15)13-8-17-11(4)19-10(13)3/h5-9H,1-4H3
InChIKeySJGNUFSDSALZRI-UHFFFAOYSA-N
XLogP3.33
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,4-dimethylpyrimidin-5-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 99821058
N,N-dimethyl-1-[4-[5-(2-methyl-4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 126837610
5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 99963071
3-(4-methylphenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 99962981
3-(4-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 99963017
2-(6-propan-2-yl-3-pyridinyl)-1,3-oxazole
CID 89273799
5-(2-methoxy-4-methylpyrimidin-5-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 91819568
2-methyl-5-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 155969690
5-phenyl-2-propan-2-ylpyridine
CID 18340622
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 63259809
5-(2,4-dimethylpyrimidin-5-yl)-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 154746852
5-(6-butan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-3-amine
CID 149454712

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylpyrimidin-5-yl)-3-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,4-dimethylpyrimidin-5-yl)-3-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole (CID 136536975) is 5-(2,4-dimethylpyrimidin-5-yl)-3-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,4-dimethylpyrimidin-5-yl)-3-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,4-dimethylpyrimidin-5-yl)-3-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole is Cc1ncc(-c2nc(-c3ccc(C(C)C)nc3)no2)c(C)n1.
What is the InChIKey of 5-(2,4-dimethylpyrimidin-5-yl)-3-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is SJGNUFSDSALZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-9(2)14-6-5-12(7-18-14)15-20-16(22-21-15)13-8-17-11(4)19-10(13)3/h5-9H,1-4H3.
What are the key properties of 5-(2,4-dimethylpyrimidin-5-yl)-3-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole?
5-(2,4-dimethylpyrimidin-5-yl)-3-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 295.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylpyrimidin-5-yl)-3-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 136536975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).