2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide

C14H18N4O3 — CID 120868586

IUPAC2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
SMILESCNC(C)Cc1noc(-c2ccccc2OCC(N)=O)n1
InChIInChI=1S/C14H18N4O3/c1-9(16-2)7-13-17-14(21-18-13)10-5-3-4-6-11(10)20-8-12(15)19/h3-6,9,16H,7-8H2,1-2H3,(H2,15,19)
InChIKeyBPIZZCKXKJFSRE-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.75
Rot. Bonds7

About 2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide

2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (PubChem CID 120868586) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
PubChem CID120868586
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
SMILESCNC(C)Cc1noc(-c2ccccc2OCC(N)=O)n1
InChIInChI=1S/C14H18N4O3/c1-9(16-2)7-13-17-14(21-18-13)10-5-3-4-6-11(10)20-8-12(15)19/h3-6,9,16H,7-8H2,1-2H3,(H2,15,19)
InChIKeyBPIZZCKXKJFSRE-UHFFFAOYSA-N
XLogP0.75
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[5-(2-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867072
1-[5-(2-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866510
N-methyl-1-[5-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120869465
4-[5-[2-(2-amino-2-oxoethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide
CID 136543120
2-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 75505999
3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-6-pyridin-2-yl-1H-pyridin-2-one
CID 137096097
(2,5-dimethylphenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanone
CID 120865028
N-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 120865244
(2,5-dimethylphenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanone;hydrochloride
CID 120865027
2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 120865038
N-methyl-1-[5-(2-methyl-6-phenyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865067
N-(2-methoxyethyl)-2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanylacetamide;hydrochloride
CID 120867292

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The IUPAC name of 2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (CID 120868586) is 2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The canonical SMILES for 2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is CNC(C)Cc1noc(-c2ccccc2OCC(N)=O)n1.
What is the InChIKey of 2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The InChIKey is BPIZZCKXKJFSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9(16-2)7-13-17-14(21-18-13)10-5-3-4-6-11(10)20-8-12(15)19/h3-6,9,16H,7-8H2,1-2H3,(H2,15,19).
What are the key properties of 2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide has a molecular weight of 290.32 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is sourced from PubChem (CID 120868586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).