(1,5-dimethylpyrazol-3-yl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]methanone

C19H21N5O3 — CID 91905401

IUPAC(1,5-dimethylpyrazol-3-yl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]methanone
SMILESCc1nc(-c2ccc(OC3CCN(C(=O)c4cc(C)n(C)n4)C3)cc2)no1
InChIInChI=1S/C19H21N5O3/c1-12-10-17(21-23(12)3)19(25)24-9-8-16(11-24)26-15-6-4-14(5-7-15)18-20-13(2)27-22-18/h4-7,10,16H,8-9,11H2,1-3H3
InChIKeyXABUOVSJRCJRIJ-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.38
Rot. Bonds4

About (1,5-dimethylpyrazol-3-yl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]methanone

(1,5-dimethylpyrazol-3-yl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]methanone (PubChem CID 91905401) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]methanone
PubChem CID91905401
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name(1,5-dimethylpyrazol-3-yl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]methanone
SMILESCc1nc(-c2ccc(OC3CCN(C(=O)c4cc(C)n(C)n4)C3)cc2)no1
InChIInChI=1S/C19H21N5O3/c1-12-10-17(21-23(12)3)19(25)24-9-8-16(11-24)26-15-6-4-14(5-7-15)18-20-13(2)27-22-18/h4-7,10,16H,8-9,11H2,1-3H3
InChIKeyXABUOVSJRCJRIJ-UHFFFAOYSA-N
XLogP2.38
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-Benzyl-5-[6-(4-phenoxypiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole
CID 16732295
3-Methyl-5-[6-[4-(2-methylphenoxy)piperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole
CID 16732297
1-[(2R)-2-[3-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68687152
1-[(2R)-2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68687920
1-[(2R)-2-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68689450
(3-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidino)(1-methyl-1H-pyrazol-5-yl)methanone
CID 91918567
3-[1-(1-Ethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-YL]-5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 91909844
3-(4-fluorophenyl)-N-(2-((3-(furan-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 72717418
3-(3-{4-[5-(Methoxymethyl)-1,2,4-oxadiazol-3-YL]phenoxy}pyrrolidine-1-carbonyl)-1-methyl-1H-indazole
CID 91905415
3-(3,5-Dimethyl-1H-pyrazol-1-YL)-1-{3-[4-(3-phenyl-1,2,4-oxadiazol-5-YL)phenoxy]azetidin-1-YL}propan-1-one
CID 91905492
5-(2-Ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole
CID 25110168
2-(4-ethoxyphenyl)-5-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372882

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]methanone (CID 91905401) is (1,5-dimethylpyrazol-3-yl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]methanone is Cc1nc(-c2ccc(OC3CCN(C(=O)c4cc(C)n(C)n4)C3)cc2)no1.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]methanone?
The InChIKey is XABUOVSJRCJRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12-10-17(21-23(12)3)19(25)24-9-8-16(11-24)26-15-6-4-14(5-7-15)18-20-13(2)27-22-18/h4-7,10,16H,8-9,11H2,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]methanone?
(1,5-dimethylpyrazol-3-yl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]methanone has a molecular weight of 367.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91905401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).