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

C12H15ClN4O3 — CID 119322902

IUPAC2-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetamide;hydrochloride
SMILESCc1noc(COc2ccc(NC(=O)CN)cc2)n1.Cl
InChIInChI=1S/C12H14N4O3.ClH/c1-8-14-12(19-16-8)7-18-10-4-2-9(3-5-10)15-11(17)6-13;/h2-5H,6-7,13H2,1H3,(H,15,17);1H
InChIKeyNHIVCBGGROFFDB-UHFFFAOYSA-N
MW298.73 g/mol
LogP1.28
Rot. Bonds5

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

2-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetamide;hydrochloride (PubChem CID 119322902) has the molecular formula C12H15ClN4O3 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetamide;hydrochloride
PubChem CID119322902
Molecular FormulaC12H15ClN4O3
Molecular Weight298.73 g/mol
Exact Mass298.08
IUPAC Name2-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetamide;hydrochloride
SMILESCc1noc(COc2ccc(NC(=O)CN)cc2)n1.Cl
InChIInChI=1S/C12H14N4O3.ClH/c1-8-14-12(19-16-8)7-18-10-4-2-9(3-5-10)15-11(17)6-13;/h2-5H,6-7,13H2,1H3,(H,15,17);1H
InChIKeyNHIVCBGGROFFDB-UHFFFAOYSA-N
XLogP1.28
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119782475
2-amino-2-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propanamide
CID 119322899
2-methyl-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]anilino]-3-oxopropanoic acid
CID 122099641
(2S)-2-amino-4-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]pentanamide
CID 119782500
1-ethoxy-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]cyclopentane-1-carboxamide
CID 100639318
N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,3-thiazolidine-4-carboxamide
CID 119322891
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 54931052
2-amino-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetamide
CID 119323625
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone
CID 18165734
N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119322894
[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]methanamine
CID 79776627
N-(4-acetylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 110677461

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetamide;hydrochloride (CID 119322902) is 2-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetamide;hydrochloride is Cc1noc(COc2ccc(NC(=O)CN)cc2)n1.Cl.
What is the InChIKey of 2-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetamide;hydrochloride?
The InChIKey is NHIVCBGGROFFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3.ClH/c1-8-14-12(19-16-8)7-18-10-4-2-9(3-5-10)15-11(17)6-13;/h2-5H,6-7,13H2,1H3,(H,15,17);1H.
What are the key properties of 2-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetamide;hydrochloride?
2-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetamide;hydrochloride has a molecular weight of 298.73 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119322902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).