2-amino-2-(oxan-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C16H20N4O3 — CID 120785416

IUPAC2-amino-2-(oxan-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESNC(C(=O)NCc1nc(-c2ccccc2)no1)C1CCOCC1
InChIInChI=1S/C16H20N4O3/c17-14(11-6-8-22-9-7-11)16(21)18-10-13-19-15(20-23-13)12-4-2-1-3-5-12/h1-5,11,14H,6-10,17H2,(H,18,21)
InChIKeyVGRLDNDPEDWKAI-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.11
Rot. Bonds5

About 2-amino-2-(oxan-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

2-amino-2-(oxan-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 120785416) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID120785416
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-amino-2-(oxan-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESNC(C(=O)NCc1nc(-c2ccccc2)no1)C1CCOCC1
InChIInChI=1S/C16H20N4O3/c17-14(11-6-8-22-9-7-11)16(21)18-10-13-19-15(20-23-13)12-4-2-1-3-5-12/h1-5,11,14H,6-10,17H2,(H,18,21)
InChIKeyVGRLDNDPEDWKAI-UHFFFAOYSA-N
XLogP1.11
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793827
2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 83624712
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786171
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 120790435
2-amino-2-(oxan-4-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 120788670
2-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799386
2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797215
2-amino-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120801606
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea
CID 121495574
N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 46296149

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 120785416) is 2-amino-2-(oxan-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is NC(C(=O)NCc1nc(-c2ccccc2)no1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is VGRLDNDPEDWKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c17-14(11-6-8-22-9-7-11)16(21)18-10-13-19-15(20-23-13)12-4-2-1-3-5-12/h1-5,11,14H,6-10,17H2,(H,18,21).
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-amino-2-(oxan-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 316.36 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 120785416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).