5-chloro-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-benzoxazol-6-amine

C14H9ClN4O — CID 103118215

IUPAC5-chloro-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-benzoxazol-6-amine
SMILESNc1cc2oc(-c3cnn4ccccc34)nc2cc1Cl
InChIInChI=1S/C14H9ClN4O/c15-9-5-11-13(6-10(9)16)20-14(18-11)8-7-17-19-4-2-1-3-12(8)19/h1-7H,16H2
InChIKeySLUMOBGDGYZTJS-UHFFFAOYSA-N
MW284.71 g/mol
LogP3.38
Rot. Bonds1

About 5-chloro-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-benzoxazol-6-amine

5-chloro-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-benzoxazol-6-amine (PubChem CID 103118215) has the molecular formula C14H9ClN4O and a molecular weight of 284.71 g/mol. Its IUPAC name is 5-chloro-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name5-chloro-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-benzoxazol-6-amine
PubChem CID103118215
Molecular FormulaC14H9ClN4O
Molecular Weight284.71 g/mol
Exact Mass284.05
IUPAC Name5-chloro-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-benzoxazol-6-amine
SMILESNc1cc2oc(-c3cnn4ccccc34)nc2cc1Cl
InChIInChI=1S/C14H9ClN4O/c15-9-5-11-13(6-10(9)16)20-14(18-11)8-7-17-19-4-2-1-3-12(8)19/h1-7H,16H2
InChIKeySLUMOBGDGYZTJS-UHFFFAOYSA-N
XLogP3.38
TPSA69.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(3-chloro-2-methylphenyl)-1,3-benzoxazol-6-amine
CID 107096884
5-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-6-amine
CID 115539701
5-chloro-2-(3-iodophenyl)-1,3-benzoxazol-6-amine
CID 113331594
5-chloro-2-(5-methylfuran-3-yl)-1,3-benzoxazol-6-amine
CID 114820837
3-chloropyrazolo[1,5-a]pyridine
CID 91100935
5-chloro-2-(3-chloro-4-iodophenyl)-1,3-benzoxazol-6-amine
CID 103220838
5-chloro-2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)aniline
CID 82720968
4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-amine
CID 103123806
2-(3-bromo-5-chlorophenyl)-5-chloro-1,3-benzoxazol-6-amine
CID 107939135
5-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1,3-benzoxazol-6-amine
CID 113331623
3-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-amine
CID 28896820
5-chloro-2-(2-phenylcyclopropyl)-1,3-benzoxazol-6-amine
CID 115539806

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-benzoxazol-6-amine?
The IUPAC name of 5-chloro-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-benzoxazol-6-amine (CID 103118215) is 5-chloro-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-benzoxazol-6-amine.
What is the SMILES notation for 5-chloro-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-benzoxazol-6-amine?
The canonical SMILES for 5-chloro-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-benzoxazol-6-amine is Nc1cc2oc(-c3cnn4ccccc34)nc2cc1Cl.
What is the InChIKey of 5-chloro-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-benzoxazol-6-amine?
The InChIKey is SLUMOBGDGYZTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O/c15-9-5-11-13(6-10(9)16)20-14(18-11)8-7-17-19-4-2-1-3-12(8)19/h1-7H,16H2.
What are the key properties of 5-chloro-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-benzoxazol-6-amine?
5-chloro-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-benzoxazol-6-amine has a molecular weight of 284.71 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pyrazolo[1,5-a]pyridin-3-yl-1,3-benzoxazol-6-amine is sourced from PubChem (CID 103118215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).