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

C16H14N4O3 — CID 110318698

IUPAC2-phenoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESO=C(COc1ccccc1)NCc1nnc(-c2cccnc2)o1
InChIInChI=1S/C16H14N4O3/c21-14(11-22-13-6-2-1-3-7-13)18-10-15-19-20-16(23-15)12-5-4-8-17-9-12/h1-9H,10-11H2,(H,18,21)
InChIKeyGFRASWLSHPNRCC-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.83
Rot. Bonds6

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

2-phenoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 110318698) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-phenoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
PubChem CID110318698
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name2-phenoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESO=C(COc1ccccc1)NCc1nnc(-c2cccnc2)o1
InChIInChI=1S/C16H14N4O3/c21-14(11-22-13-6-2-1-3-7-13)18-10-15-19-20-16(23-15)12-5-4-8-17-9-12/h1-9H,10-11H2,(H,18,21)
InChIKeyGFRASWLSHPNRCC-UHFFFAOYSA-N
XLogP1.83
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenoxy)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318717
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-phenoxyacetamide
CID 110319129
2-(2,4-dichlorophenoxy)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318700
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 50848268
2-(4-methylphenoxy)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110319572
3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318682
2-(2-methoxyphenoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318462
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110408611
2-(4-tert-butylphenoxy)-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 92559007
N-[(2-methoxyphenyl)methyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330378
4-(1,3-dioxoisoindol-2-yl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 110318736
N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide
CID 91356412

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-phenoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 110318698) is 2-phenoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is O=C(COc1ccccc1)NCc1nnc(-c2cccnc2)o1.
What is the InChIKey of 2-phenoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The InChIKey is GFRASWLSHPNRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-14(11-22-13-6-2-1-3-7-13)18-10-15-19-20-16(23-15)12-5-4-8-17-9-12/h1-9H,10-11H2,(H,18,21).
What are the key properties of 2-phenoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
2-phenoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 310.31 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 110318698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).