5-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide

C13H17N5O2 — CID 131900670

IUPAC5-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC(C)c2nc(C(C)C)no2)cn1
InChIInChI=1S/C13H17N5O2/c1-7(2)11-17-13(20-18-11)9(4)16-12(19)10-6-14-8(3)5-15-10/h5-7,9H,1-4H3,(H,16,19)
InChIKeyGCASEVVGDIUVPZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.78
Rot. Bonds4

About 5-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide

5-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 131900670) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide
PubChem CID131900670
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name5-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC(C)c2nc(C(C)C)no2)cn1
InChIInChI=1S/C13H17N5O2/c1-7(2)11-17-13(20-18-11)9(4)16-12(19)10-6-14-8(3)5-15-10/h5-7,9H,1-4H3,(H,16,19)
InChIKeyGCASEVVGDIUVPZ-UHFFFAOYSA-N
XLogP1.78
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 99942965
5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 47161122
N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 91766329
2-amino-5-hydroxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 131921480
1-(4-aminocyclohexyl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide
CID 98370670
1-(4-aminocyclohexyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide
CID 70783332
7-methyl-2-oxo-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 125169096
5-phenyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 131929435
N-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 42905859
5-methyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazine-2-carboxamide
CID 91779730
2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 95551075
methyl 3-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]butanoate
CID 43407775

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide (CID 131900670) is 5-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NC(C)c2nc(C(C)C)no2)cn1.
What is the InChIKey of 5-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is GCASEVVGDIUVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-7(2)11-17-13(20-18-11)9(4)16-12(19)10-6-14-8(3)5-15-10/h5-7,9H,1-4H3,(H,16,19).
What are the key properties of 5-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide?
5-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 131900670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).