(2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride

C14H19ClN4O3 — CID 119342829

IUPAC(2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride
SMILESCOc1cccc(-c2noc(C(C)NC(=O)[C@@H](C)N)n2)c1.Cl
InChIInChI=1S/C14H18N4O3.ClH/c1-8(15)13(19)16-9(2)14-17-12(18-21-14)10-5-4-6-11(7-10)20-3;/h4-9H,15H2,1-3H3,(H,16,19);1H/t8-,9?;/m1./s1
InChIKeyXJFPEYHBFJYEGE-URIXSHMWSA-N
MW326.78 g/mol
LogP1.69
Rot. Bonds5

About (2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride

(2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride (PubChem CID 119342829) has the molecular formula C14H19ClN4O3 and a molecular weight of 326.78 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride
PubChem CID119342829
Molecular FormulaC14H19ClN4O3
Molecular Weight326.78 g/mol
Exact Mass326.11
IUPAC Name(2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride
SMILESCOc1cccc(-c2noc(C(C)NC(=O)[C@@H](C)N)n2)c1.Cl
InChIInChI=1S/C14H18N4O3.ClH/c1-8(15)13(19)16-9(2)14-17-12(18-21-14)10-5-4-6-11(7-10)20-3;/h4-9H,15H2,1-3H3,(H,16,19);1H/t8-,9?;/m1./s1
InChIKeyXJFPEYHBFJYEGE-URIXSHMWSA-N
XLogP1.69
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide
CID 119817254
7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide
CID 119817246
(2S,5R)-5-(aminomethyl)-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolane-2-carboxamide
CID 120796164
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide
CID 17101518
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 136528859
1-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-piperidin-1-ylethyl)urea
CID 154798020
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119342812
4-methoxy-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butan-2-amine
CID 119160163
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119817252
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide
CID 83288304
2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 81372926

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride (CID 119342829) is (2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride is COc1cccc(-c2noc(C(C)NC(=O)[C@@H](C)N)n2)c1.Cl.
What is the InChIKey of (2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride?
The InChIKey is XJFPEYHBFJYEGE-URIXSHMWSA-N. The full InChI is InChI=1S/C14H18N4O3.ClH/c1-8(15)13(19)16-9(2)14-17-12(18-21-14)10-5-4-6-11(7-10)20-3;/h4-9H,15H2,1-3H3,(H,16,19);1H/t8-,9?;/m1./s1.
What are the key properties of (2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride?
(2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride has a molecular weight of 326.78 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119342829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).