[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone

C14H15N3O2 — CID 53015117

IUPAC[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(-c2ccc(C(=O)N3CCCC3)cc2)no1
InChIInChI=1S/C14H15N3O2/c1-10-15-13(16-19-10)11-4-6-12(7-5-11)14(18)17-8-2-3-9-17/h4-7H,2-3,8-9H2,1H3
InChIKeyMQNSBCACBMMNMD-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.28
Rot. Bonds2

About [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone

[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 53015117) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID53015117
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(-c2ccc(C(=O)N3CCCC3)cc2)no1
InChIInChI=1S/C14H15N3O2/c1-10-15-13(16-19-10)11-4-6-12(7-5-11)14(18)17-8-2-3-9-17/h4-7H,2-3,8-9H2,1H3
InChIKeyMQNSBCACBMMNMD-UHFFFAOYSA-N
XLogP2.28
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-piperidin-1-ylmethanone
CID 53004915
[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 50806800
[4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53041886
3,4-dihydro-1H-isoquinolin-2-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 175729357
pyrrolidin-1-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 71230722
N-[4-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide
CID 53041887
azepan-1-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 86777416
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 50828633
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 18382318
(4-methylphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone
CID 50827747
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]methanone
CID 50767346
N-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 46361301

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone (CID 53015117) is [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone is Cc1nc(-c2ccc(C(=O)N3CCCC3)cc2)no1.
What is the InChIKey of [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is MQNSBCACBMMNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-15-13(16-19-10)11-4-6-12(7-5-11)14(18)17-8-2-3-9-17/h4-7H,2-3,8-9H2,1H3.
What are the key properties of [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone?
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 257.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53015117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).