N-[[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide

C17H17N5O2 — CID 46956968

IUPACN-[[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide
SMILESCc1cnc(-c2nnc(CNC(=O)CCc3ccccc3)o2)cn1
InChIInChI=1S/C17H17N5O2/c1-12-9-19-14(10-18-12)17-22-21-16(24-17)11-20-15(23)8-7-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,20,23)
InChIKeyWUNXGJIMUQJODZ-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.08
Rot. Bonds6

About N-[[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide

N-[[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide (PubChem CID 46956968) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide
PubChem CID46956968
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide
SMILESCc1cnc(-c2nnc(CNC(=O)CCc3ccccc3)o2)cn1
InChIInChI=1S/C17H17N5O2/c1-12-9-19-14(10-18-12)17-22-21-16(24-17)11-20-15(23)8-7-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,20,23)
InChIKeyWUNXGJIMUQJODZ-UHFFFAOYSA-N
XLogP2.08
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide
CID 91773590
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide
CID 110319915
N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide
CID 47038622
4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 110615805
N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330251
2-(2-methoxyphenoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318462
3-(3-methoxyphenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
CID 110408609
N-benzyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333973
N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333805
3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 110334156
2-(2,6-dimethoxyphenoxy)-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 92559006
N-benzyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334721

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide?
The IUPAC name of N-[[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide (CID 46956968) is N-[[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide?
The canonical SMILES for N-[[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide is Cc1cnc(-c2nnc(CNC(=O)CCc3ccccc3)o2)cn1.
What is the InChIKey of N-[[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide?
The InChIKey is WUNXGJIMUQJODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12-9-19-14(10-18-12)17-22-21-16(24-17)11-20-15(23)8-7-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,20,23).
What are the key properties of N-[[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide?
N-[[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide has a molecular weight of 323.36 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 46956968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).