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

C14H15N3O2 — CID 155948637

IUPAC[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1nnc(-c2cccc(C(=O)N3CCCC3)c2)o1
InChIInChI=1S/C14H15N3O2/c1-10-15-16-13(19-10)11-5-4-6-12(9-11)14(18)17-7-2-3-8-17/h4-6,9H,2-3,7-8H2,1H3
InChIKeyLZHRJOGDQCRBAT-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.28
Rot. Bonds2

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

[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 155948637) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is [3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID155948637
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1nnc(-c2cccc(C(=O)N3CCCC3)c2)o1
InChIInChI=1S/C14H15N3O2/c1-10-15-16-13(19-10)11-5-4-6-12(9-11)14(18)17-7-2-3-8-17/h4-6,9H,2-3,7-8H2,1H3
InChIKeyLZHRJOGDQCRBAT-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

(3-hydroxypyrrolidin-1-yl)-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone
CID 156608184
4-hydroxy-9-[3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 154849837
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
azepan-1-yl-[3-(3,4-dimethylphenyl)phenyl]methanone
CID 126484493
[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 53218719
[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 110392413
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
N-(2,6-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 99817536
(4-ethylpiperazin-1-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 110693173
5-[3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 72884179
azepan-1-yl-[3-(3-fluoro-4-methylphenyl)phenyl]methanone
CID 126484495

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-pyrrolidin-1-ylmethanone (CID 155948637) is [3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-pyrrolidin-1-ylmethanone is Cc1nnc(-c2cccc(C(=O)N3CCCC3)c2)o1.
What is the InChIKey of [3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is LZHRJOGDQCRBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-15-16-13(19-10)11-5-4-6-12(9-11)14(18)17-7-2-3-8-17/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of [3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-pyrrolidin-1-ylmethanone?
[3-(5-methyl-1,3,4-oxadiazol-2-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 [3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 155948637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).