N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)-2H-benzotriazole-4-carboxamide

C14H10N6O2 — CID 146038711

IUPACN-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)-2H-benzotriazole-4-carboxamide
SMILESO=C(NCc1nc2ncccc2o1)c1cccc2n[nH]nc12
InChIInChI=1S/C14H10N6O2/c21-14(8-3-1-4-9-12(8)19-20-18-9)16-7-11-17-13-10(22-11)5-2-6-15-13/h1-6H,7H2,(H,16,21)(H,18,19,20)
InChIKeyZDPLTHNESKFZCV-UHFFFAOYSA-N
MW294.27 g/mol
LogP1.42
Rot. Bonds3

About N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)-2H-benzotriazole-4-carboxamide

N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)-2H-benzotriazole-4-carboxamide (PubChem CID 146038711) has the molecular formula C14H10N6O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)-2H-benzotriazole-4-carboxamide.

Molecular Properties

Compound NameN-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)-2H-benzotriazole-4-carboxamide
PubChem CID146038711
Molecular FormulaC14H10N6O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC NameN-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)-2H-benzotriazole-4-carboxamide
SMILESO=C(NCc1nc2ncccc2o1)c1cccc2n[nH]nc12
InChIInChI=1S/C14H10N6O2/c21-14(8-3-1-4-9-12(8)19-20-18-9)16-7-11-17-13-10(22-11)5-2-6-15-13/h1-6H,7H2,(H,16,21)(H,18,19,20)
InChIKeyZDPLTHNESKFZCV-UHFFFAOYSA-N
XLogP1.42
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methylpiperazin-1-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)benzamide
CID 154563389
N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]naphthalene-1-carboxamide
CID 17336612
6-morpholin-4-yl-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 146041738
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)acetamide
CID 146046948
[1,3]oxazolo[4,5-b]pyridin-2-ylmethanol
CID 83383622
3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid
CID 82403009
copper bis(2H-benzotriazole-4-carboxylate)
CID 70170962
zinc bis(2H-benzotriazole-4-carboxylate)
CID 157421102
4-([1,3]oxazolo[4,5-b]pyridin-2-yl)butan-2-one
CID 83859254
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-4-carboxamide
CID 126782331
N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide
CID 115598832
azane;2H-benzotriazole-4-carboxylic acid;silver
CID 173422374

Frequently Asked Questions

What is the IUPAC name of N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)-2H-benzotriazole-4-carboxamide?
The IUPAC name of N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)-2H-benzotriazole-4-carboxamide (CID 146038711) is N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)-2H-benzotriazole-4-carboxamide.
What is the SMILES notation for N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)-2H-benzotriazole-4-carboxamide?
The canonical SMILES for N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)-2H-benzotriazole-4-carboxamide is O=C(NCc1nc2ncccc2o1)c1cccc2n[nH]nc12.
What is the InChIKey of N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)-2H-benzotriazole-4-carboxamide?
The InChIKey is ZDPLTHNESKFZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O2/c21-14(8-3-1-4-9-12(8)19-20-18-9)16-7-11-17-13-10(22-11)5-2-6-15-13/h1-6H,7H2,(H,16,21)(H,18,19,20).
What are the key properties of N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)-2H-benzotriazole-4-carboxamide?
N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)-2H-benzotriazole-4-carboxamide has a molecular weight of 294.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)-2H-benzotriazole-4-carboxamide is sourced from PubChem (CID 146038711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).