acetamide;4-[(2S)-2-amino-2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]ethyl]phenol

C13H19N5O3 — CID 142301314

IUPACacetamide;4-[(2S)-2-amino-2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]ethyl]phenol
SMILESCC(N)=O.NCc1nc([C@@H](N)Cc2ccc(O)cc2)no1
InChIInChI=1S/C11H14N4O2.C2H5NO/c12-6-10-14-11(15-17-10)9(13)5-7-1-3-8(16)4-2-7;1-2(3)4/h1-4,9,16H,5-6,12-13H2;1H3,(H2,3,4)/t9-;/m0./s1
InChIKeyRCODENGUANOOPS-FVGYRXGTSA-N
MW293.33 g/mol
LogP-0.03
Rot. Bonds4

About acetamide;4-[(2S)-2-amino-2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]ethyl]phenol

acetamide;4-[(2S)-2-amino-2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]ethyl]phenol (PubChem CID 142301314) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is acetamide;4-[(2S)-2-amino-2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]ethyl]phenol.

Molecular Properties

Compound Nameacetamide;4-[(2S)-2-amino-2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]ethyl]phenol
PubChem CID142301314
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Nameacetamide;4-[(2S)-2-amino-2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]ethyl]phenol
SMILESCC(N)=O.NCc1nc([C@@H](N)Cc2ccc(O)cc2)no1
InChIInChI=1S/C11H14N4O2.C2H5NO/c12-6-10-14-11(15-17-10)9(13)5-7-1-3-8(16)4-2-7;1-2(3)4/h1-4,9,16H,5-6,12-13H2;1H3,(H2,3,4)/t9-;/m0./s1
InChIKeyRCODENGUANOOPS-FVGYRXGTSA-N
XLogP-0.03
TPSA154.28 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[3-[1-amino-2-(4-hydroxyphenyl)ethyl]-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-5-(diaminomethylideneamino)pentanoic acid;4-methylphenol
CID 145150677
4-[(2R)-2-amino-2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905807
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106416404
4-[(2R)-2-amino-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905819
4-[(2S)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905697
(2S)-2-[[1-[3-[(1S)-1-amino-2-(4-hydroxyphenyl)ethyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropyl]carbamoylamino]propanoic acid
CID 166862737
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
4-[2-amino-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenol
CID 134330677
bromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 56980612
2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide
CID 174991066
(2S)-2-[[(3R)-2-[3-[(1S)-1-amino-2-(4-hydroxyphenyl)ethyl]-1,2,4-oxadiazol-5-yl]-3-hydroxypyrrolidine-1-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 134260367
(2S)-2-[[(1S)-5-amino-1-[3-[(1S)-1-amino-2-(4-hydroxyphenyl)ethyl]-1,2,4-oxadiazol-5-yl]pentyl]carbamoylamino]-6-(diaminomethylideneamino)hexanoic acid
CID 145150694

Frequently Asked Questions

What is the IUPAC name of acetamide;4-[(2S)-2-amino-2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]ethyl]phenol?
The IUPAC name of acetamide;4-[(2S)-2-amino-2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]ethyl]phenol (CID 142301314) is acetamide;4-[(2S)-2-amino-2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]ethyl]phenol.
What is the SMILES notation for acetamide;4-[(2S)-2-amino-2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]ethyl]phenol?
The canonical SMILES for acetamide;4-[(2S)-2-amino-2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]ethyl]phenol is CC(N)=O.NCc1nc([C@@H](N)Cc2ccc(O)cc2)no1.
What is the InChIKey of acetamide;4-[(2S)-2-amino-2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]ethyl]phenol?
The InChIKey is RCODENGUANOOPS-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H14N4O2.C2H5NO/c12-6-10-14-11(15-17-10)9(13)5-7-1-3-8(16)4-2-7;1-2(3)4/h1-4,9,16H,5-6,12-13H2;1H3,(H2,3,4)/t9-;/m0./s1.
What are the key properties of acetamide;4-[(2S)-2-amino-2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]ethyl]phenol?
acetamide;4-[(2S)-2-amino-2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]ethyl]phenol has a molecular weight of 293.33 g/mol, XLogP of -0.03, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;4-[(2S)-2-amino-2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]ethyl]phenol is sourced from PubChem (CID 142301314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).