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

C13H15ClN4O2 — CID 119344422

IUPAC(2R)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide
SMILESCC(NC(=O)[C@@H](C)N)c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H15ClN4O2/c1-7(15)12(19)16-8(2)11-17-13(20-18-11)9-3-5-10(14)6-4-9/h3-8H,15H2,1-2H3,(H,16,19)/t7-,8?/m1/s1
InChIKeyXTAQXIWDUAWVDN-GVHYBUMESA-N
MW294.74 g/mol
LogP1.91
Rot. Bonds4

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

(2R)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide (PubChem CID 119344422) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide
PubChem CID119344422
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name(2R)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide
SMILESCC(NC(=O)[C@@H](C)N)c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H15ClN4O2/c1-7(15)12(19)16-8(2)11-17-13(20-18-11)9-3-5-10(14)6-4-9/h3-8H,15H2,1-2H3,(H,16,19)/t7-,8?/m1/s1
InChIKeyXTAQXIWDUAWVDN-GVHYBUMESA-N
XLogP1.91
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide;hydrochloride
CID 119344413
N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119820192
(1R,5S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97089634
N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide
CID 96559354
N-[(1R)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 96559357
1-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(3-hydroxybutyl)urea
CID 111861205
3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride
CID 120502036
2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]-N,N-dimethylpropanamide
CID 75521519
N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide
CID 96559361
N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 71860913
1-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120551988
4-bromo-N-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylcarbamoylamino]ethyl]benzamide
CID 167834271

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide (CID 119344422) is (2R)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide is CC(NC(=O)[C@@H](C)N)c1noc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of (2R)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide?
The InChIKey is XTAQXIWDUAWVDN-GVHYBUMESA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-7(15)12(19)16-8(2)11-17-13(20-18-11)9-3-5-10(14)6-4-9/h3-8H,15H2,1-2H3,(H,16,19)/t7-,8?/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide?
(2R)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide has a molecular weight of 294.74 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide is sourced from PubChem (CID 119344422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).