N-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrrolidin-1-ylbenzamide

C18H18N6O2 — CID 92568978

IUPACN-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrrolidin-1-ylbenzamide
SMILESO=C(NCc1nnc(-c2cnccn2)o1)c1cccc(N2CCCC2)c1
InChIInChI=1S/C18H18N6O2/c25-17(13-4-3-5-14(10-13)24-8-1-2-9-24)21-12-16-22-23-18(26-16)15-11-19-6-7-20-15/h3-7,10-11H,1-2,8-9,12H2,(H,21,25)
InChIKeyBCDYPQLHQMOWBC-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.06
Rot. Bonds5

About N-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrrolidin-1-ylbenzamide

N-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrrolidin-1-ylbenzamide (PubChem CID 92568978) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrrolidin-1-ylbenzamide
PubChem CID92568978
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrrolidin-1-ylbenzamide
SMILESO=C(NCc1nnc(-c2cnccn2)o1)c1cccc(N2CCCC2)c1
InChIInChI=1S/C18H18N6O2/c25-17(13-4-3-5-14(10-13)24-8-1-2-9-24)21-12-16-22-23-18(26-16)15-11-19-6-7-20-15/h3-7,10-11H,1-2,8-9,12H2,(H,21,25)
InChIKeyBCDYPQLHQMOWBC-UHFFFAOYSA-N
XLogP2.06
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 50954392
2-(4-phenylpiperazin-1-yl)-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 95931465
N-[(3-ethoxyphenyl)methyl]-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 52906391
N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 91394219
1-(4-methoxyphenyl)-N-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 92595335
N-[(4-chlorophenyl)methyl]-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53162270
5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109226474
N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide
CID 92576803
N-[(3-chloro-4-fluorophenyl)methyl]-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 52906389
N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide
CID 167747025
3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670377
3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319255

Frequently Asked Questions

What is the IUPAC name of N-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrrolidin-1-ylbenzamide (CID 92568978) is N-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrrolidin-1-ylbenzamide is O=C(NCc1nnc(-c2cnccn2)o1)c1cccc(N2CCCC2)c1.
What is the InChIKey of N-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrrolidin-1-ylbenzamide?
The InChIKey is BCDYPQLHQMOWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-17(13-4-3-5-14(10-13)24-8-1-2-9-24)21-12-16-22-23-18(26-16)15-11-19-6-7-20-15/h3-7,10-11H,1-2,8-9,12H2,(H,21,25).
What are the key properties of N-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrrolidin-1-ylbenzamide?
N-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrrolidin-1-ylbenzamide has a molecular weight of 350.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 92568978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).