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

C14H18N4O3 — CID 118780101

IUPAC[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCc1noc(C2CCN(C(=O)c3cc(C(C)C)on3)C2)n1
InChIInChI=1S/C14H18N4O3/c1-8(2)12-6-11(17-20-12)14(19)18-5-4-10(7-18)13-15-9(3)16-21-13/h6,8,10H,4-5,7H2,1-3H3
InChIKeyRAAXPXDDFCKRJB-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.12
Rot. Bonds3

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

[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 118780101) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is [3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID118780101
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCc1noc(C2CCN(C(=O)c3cc(C(C)C)on3)C2)n1
InChIInChI=1S/C14H18N4O3/c1-8(2)12-6-11(17-20-12)14(19)18-5-4-10(7-18)13-15-9(3)16-21-13/h6,8,10H,4-5,7H2,1-3H3
InChIKeyRAAXPXDDFCKRJB-UHFFFAOYSA-N
XLogP2.12
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 146230169
(4-propan-2-ylazepan-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 119043032
(3,4-dimethylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129348913
(2-chloro-4,5-dimethylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129491670
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 154811186
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone
CID 146122533
(5-methyl-1H-imidazol-2-yl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 125172460
(4-bromo-5-methylthiophen-2-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 136548803
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 136563848
[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
CID 129346829
(2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 128988584
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848

Frequently Asked Questions

What is the IUPAC name of [3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (CID 118780101) is [3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is Cc1noc(C2CCN(C(=O)c3cc(C(C)C)on3)C2)n1.
What is the InChIKey of [3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is RAAXPXDDFCKRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-8(2)12-6-11(17-20-12)14(19)18-5-4-10(7-18)13-15-9(3)16-21-13/h6,8,10H,4-5,7H2,1-3H3.
What are the key properties of [3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 290.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 118780101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).