N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide

C13H14N6O2 — CID 138810278

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide
SMILESCCn1cnnc1CCNC(=O)c1onc2ncccc12
InChIInChI=1S/C13H14N6O2/c1-2-19-8-16-17-10(19)5-7-15-13(20)11-9-4-3-6-14-12(9)18-21-11/h3-4,6,8H,2,5,7H2,1H3,(H,15,20)
InChIKeyCIMANBVJNUXVMZ-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.81
Rot. Bonds5

About N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 138810278) has the molecular formula C13H14N6O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide
PubChem CID138810278
Molecular FormulaC13H14N6O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide
SMILESCCn1cnnc1CCNC(=O)c1onc2ncccc12
InChIInChI=1S/C13H14N6O2/c1-2-19-8-16-17-10(19)5-7-15-13(20)11-9-4-3-6-14-12(9)18-21-11/h3-4,6,8H,2,5,7H2,1H3,(H,15,20)
InChIKeyCIMANBVJNUXVMZ-UHFFFAOYSA-N
XLogP0.81
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72928708
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 131905838
1-([1,2]oxazolo[3,4-b]pyridin-3-yl)ethanone
CID 71435116
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-2-phenylpropanamide
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N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methylprop-2-enoxy)benzamide
CID 46987909
3-[(3-bromobenzoyl)amino]-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 86935598
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 56904450
7-chloro-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]quinoline-2-carboxamide
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2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 86906390
2-(4-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 62692798
5-(benzimidazol-1-ylmethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 56750239
3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide (CID 138810278) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide is CCn1cnnc1CCNC(=O)c1onc2ncccc12.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is CIMANBVJNUXVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c1-2-19-8-16-17-10(19)5-7-15-13(20)11-9-4-3-6-14-12(9)18-21-11/h3-4,6,8H,2,5,7H2,1H3,(H,15,20).
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 138810278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).