2-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methylamino]acetamide

C14H13N5O2 — CID 107436223

IUPAC2-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
SMILESNC(=O)CNCc1nc(-c2ccc3ncccc3c2)no1
InChIInChI=1S/C14H13N5O2/c15-12(20)7-16-8-13-18-14(19-21-13)10-3-4-11-9(6-10)2-1-5-17-11/h1-6,16H,7-8H2,(H2,15,20)
InChIKeyOGMALZXGKYWJIE-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.86
Rot. Bonds5

About 2-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methylamino]acetamide

2-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methylamino]acetamide (PubChem CID 107436223) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methylamino]acetamide.

Molecular Properties

Compound Name2-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
PubChem CID107436223
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
SMILESNC(=O)CNCc1nc(-c2ccc3ncccc3c2)no1
InChIInChI=1S/C14H13N5O2/c15-12(20)7-16-8-13-18-14(19-21-13)10-3-4-11-9(6-10)2-1-5-17-11/h1-6,16H,7-8H2,(H2,15,20)
InChIKeyOGMALZXGKYWJIE-UHFFFAOYSA-N
XLogP0.86
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 63758117
2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 63095950
2-amino-2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 63097003
2-[[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436593
1-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 63349181
(1R)-2-methyl-1-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104901602
2-[[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436119
3-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 63096652
2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 65221531
(1S)-2-methyl-1-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 104900102
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874
N-(2-amino-2-sulfanylideneethyl)quinoline-6-carboxamide
CID 62850973

Frequently Asked Questions

What is the IUPAC name of 2-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methylamino]acetamide?
The IUPAC name of 2-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methylamino]acetamide (CID 107436223) is 2-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methylamino]acetamide.
What is the SMILES notation for 2-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methylamino]acetamide?
The canonical SMILES for 2-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methylamino]acetamide is NC(=O)CNCc1nc(-c2ccc3ncccc3c2)no1.
What is the InChIKey of 2-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methylamino]acetamide?
The InChIKey is OGMALZXGKYWJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c15-12(20)7-16-8-13-18-14(19-21-13)10-3-4-11-9(6-10)2-1-5-17-11/h1-6,16H,7-8H2,(H2,15,20).
What are the key properties of 2-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methylamino]acetamide?
2-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methylamino]acetamide has a molecular weight of 283.29 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methylamino]acetamide is sourced from PubChem (CID 107436223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).