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

C14H17ClN4O3 — CID 120989493

IUPAC2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H17ClN4O3/c1-21-8-11(16)14(20)17-7-6-12-18-13(19-22-12)9-2-4-10(15)5-3-9/h2-5,11H,6-8,16H2,1H3,(H,17,20)
InChIKeyFVRWXQIMCAAFLB-UHFFFAOYSA-N
MW324.77 g/mol
LogP1.02
Rot. Bonds7

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

2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxypropanamide (PubChem CID 120989493) has the molecular formula C14H17ClN4O3 and a molecular weight of 324.77 g/mol. Its IUPAC name is 2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxypropanamide
PubChem CID120989493
Molecular FormulaC14H17ClN4O3
Molecular Weight324.77 g/mol
Exact Mass324.10
IUPAC Name2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H17ClN4O3/c1-21-8-11(16)14(20)17-7-6-12-18-13(19-22-12)9-2-4-10(15)5-3-9/h2-5,11H,6-8,16H2,1H3,(H,17,20)
InChIKeyFVRWXQIMCAAFLB-UHFFFAOYSA-N
XLogP1.02
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide
CID 119782360
(2S)-2-but-3-enoxy-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 95233554
3-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,1-dimethylurea
CID 110324015
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 94051750
(2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride
CID 119788016
1-(4-chlorophenyl)-3-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 110324234
4-tert-butyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 51064630
2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 119326202
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-methylpropyl)guanidine
CID 111809518
(2R)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 119326200
(2S,3S)-2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-3-methylpentanoic acid
CID 122100215
N-(3-aminobutyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 119495720

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxypropanamide (CID 120989493) is 2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxypropanamide is COCC(N)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxypropanamide?
The InChIKey is FVRWXQIMCAAFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3/c1-21-8-11(16)14(20)17-7-6-12-18-13(19-22-12)9-2-4-10(15)5-3-9/h2-5,11H,6-8,16H2,1H3,(H,17,20).
What are the key properties of 2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxypropanamide?
2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxypropanamide has a molecular weight of 324.77 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxypropanamide is sourced from PubChem (CID 120989493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).