N-methyl-5-propyl-N-(pyrazin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide

C12H15N5O2 — CID 56879661

IUPACN-methyl-5-propyl-N-(pyrazin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCCCc1nnc(C(=O)N(C)Cc2cnccn2)o1
InChIInChI=1S/C12H15N5O2/c1-3-4-10-15-16-11(19-10)12(18)17(2)8-9-7-13-5-6-14-9/h5-7H,3-4,8H2,1-2H3
InChIKeyRSYJVAGXKPJSLF-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.08
Rot. Bonds5

About N-methyl-5-propyl-N-(pyrazin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide

N-methyl-5-propyl-N-(pyrazin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 56879661) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-methyl-5-propyl-N-(pyrazin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-propyl-N-(pyrazin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID56879661
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC NameN-methyl-5-propyl-N-(pyrazin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCCCc1nnc(C(=O)N(C)Cc2cnccn2)o1
InChIInChI=1S/C12H15N5O2/c1-3-4-10-15-16-11(19-10)12(18)17(2)8-9-7-13-5-6-14-9/h5-7H,3-4,8H2,1-2H3
InChIKeyRSYJVAGXKPJSLF-UHFFFAOYSA-N
XLogP1.08
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(isoquinolin-5-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide
CID 56879074
N-[(4-methoxyphenyl)methyl]-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide
CID 56865237
N-methyl-N-(3-phenylpropyl)-5-propyl-1,3,4-oxadiazole-2-carboxamide
CID 56873346
5-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 56867370
3-[(dimethylamino)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 71991144
(2S)-2-amino-N,4-dimethyl-N-(pyrazin-2-ylmethyl)pentanamide
CID 119867897
N-methyl-4-(4-methylpiperazin-1-yl)-N-(pyrazin-2-ylmethyl)benzamide
CID 77082553
1-pyrazin-2-ylhexan-3-one
CID 64504751
1-methyl-1-(pyrazin-2-ylmethyl)hydrazine
CID 169495103
1-(3,4-dimethoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)cyclopentane-1-carboxamide
CID 90651852
(2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 99974191
4-[methyl(pyrazin-2-ylmethyl)amino]pyridine-3-carboxamide
CID 133471489

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propyl-N-(pyrazin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-methyl-5-propyl-N-(pyrazin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (CID 56879661) is N-methyl-5-propyl-N-(pyrazin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-methyl-5-propyl-N-(pyrazin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-methyl-5-propyl-N-(pyrazin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is CCCc1nnc(C(=O)N(C)Cc2cnccn2)o1.
What is the InChIKey of N-methyl-5-propyl-N-(pyrazin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is RSYJVAGXKPJSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-3-4-10-15-16-11(19-10)12(18)17(2)8-9-7-13-5-6-14-9/h5-7H,3-4,8H2,1-2H3.
What are the key properties of N-methyl-5-propyl-N-(pyrazin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
N-methyl-5-propyl-N-(pyrazin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propyl-N-(pyrazin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 56879661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).