N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide

C17H19N5O3 — CID 97069176

IUPACN-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCOc1ccccc1[C@H](NC(=O)Cc1cc(C)[nH]n1)c1noc(C)n1
InChIInChI=1S/C17H19N5O3/c1-10-8-12(21-20-10)9-15(23)19-16(17-18-11(2)25-22-17)13-6-4-5-7-14(13)24-3/h4-8,16H,9H2,1-3H3,(H,19,23)(H,20,21)/t16-/m0/s1
InChIKeyVFXHEWCCACTKIG-INIZCTEOSA-N
MW341.37 g/mol
LogP1.87
Rot. Bonds6

About N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide

N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 97069176) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID97069176
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCOc1ccccc1[C@H](NC(=O)Cc1cc(C)[nH]n1)c1noc(C)n1
InChIInChI=1S/C17H19N5O3/c1-10-8-12(21-20-10)9-15(23)19-16(17-18-11(2)25-22-17)13-6-4-5-7-14(13)24-3/h4-8,16H,9H2,1-3H3,(H,19,23)(H,20,21)/t16-/m0/s1
InChIKeyVFXHEWCCACTKIG-INIZCTEOSA-N
XLogP1.87
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 97069176) is N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide is COc1ccccc1[C@H](NC(=O)Cc1cc(C)[nH]n1)c1noc(C)n1.
What is the InChIKey of N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is VFXHEWCCACTKIG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-10-8-12(21-20-10)9-15(23)19-16(17-18-11(2)25-22-17)13-6-4-5-7-14(13)24-3/h4-8,16H,9H2,1-3H3,(H,19,23)(H,20,21)/t16-/m0/s1.
What are the key properties of N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 341.37 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 97069176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).