2-phenoxy-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C19H20N4O3 — CID 66551726

IUPAC2-phenoxy-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCC(C)N(Cc1nc(-c2cccnc2)no1)C(=O)COc1ccccc1
InChIInChI=1S/C19H20N4O3/c1-14(2)23(18(24)13-25-16-8-4-3-5-9-16)12-17-21-19(22-26-17)15-7-6-10-20-11-15/h3-11,14H,12-13H2,1-2H3
InChIKeyYUILDZAJDIWGGU-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.95
Rot. Bonds7

About 2-phenoxy-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

2-phenoxy-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 66551726) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-phenoxy-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID66551726
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-phenoxy-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCC(C)N(Cc1nc(-c2cccnc2)no1)C(=O)COc1ccccc1
InChIInChI=1S/C19H20N4O3/c1-14(2)23(18(24)13-25-16-8-4-3-5-9-16)12-17-21-19(22-26-17)15-7-6-10-20-11-15/h3-11,14H,12-13H2,1-2H3
InChIKeyYUILDZAJDIWGGU-UHFFFAOYSA-N
XLogP2.95
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-phenoxy-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 66551726) is 2-phenoxy-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-phenoxy-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is CC(C)N(Cc1nc(-c2cccnc2)no1)C(=O)COc1ccccc1.
What is the InChIKey of 2-phenoxy-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is YUILDZAJDIWGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-14(2)23(18(24)13-25-16-8-4-3-5-9-16)12-17-21-19(22-26-17)15-7-6-10-20-11-15/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 2-phenoxy-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-phenoxy-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 352.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 66551726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).