3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine

C17H11N3O — CID 153492948

IUPAC3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine
SMILESc1ccc(-c2noc3cc(-c4cccnc4)ncc23)cc1
InChIInChI=1S/C17H11N3O/c1-2-5-12(6-3-1)17-14-11-19-15(9-16(14)21-20-17)13-7-4-8-18-10-13/h1-11H
InChIKeyIFCPNCBFTJNHRM-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.95
Rot. Bonds2

About 3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine

3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 153492948) has the molecular formula C17H11N3O and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine
PubChem CID153492948
Molecular FormulaC17H11N3O
Molecular Weight273.30 g/mol
Exact Mass273.09
IUPAC Name3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine
SMILESc1ccc(-c2noc3cc(-c4cccnc4)ncc23)cc1
InChIInChI=1S/C17H11N3O/c1-2-5-12(6-3-1)17-14-11-19-15(9-16(14)21-20-17)13-7-4-8-18-10-13/h1-11H
InChIKeyIFCPNCBFTJNHRM-UHFFFAOYSA-N
XLogP3.95
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Pyridin-3-ylisoxazol-5-YL)methanamine
CID 11993865
5-[3-(6-Carbamimidoyl-3-pyridinyl)-1,2-oxazol-5-yl]pyridine-2-carboximidamide;dihydrochloride
CID 90665246
4-[3-(4-Fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine
CID 16115351
5-Methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 22015566
5-methyl-6-phenyl-3-(pyridin-3-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579325
3-(4-Fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 58659496
7-(4-Methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole
CID 71515497
3-(4-Fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
CID 71544317
5-[5-(5-Carbamimidoyl-3-pyridinyl)-1,2-oxazol-3-yl]pyridine-2-carboximidamide;hydrochloride
CID 76317404
5-[5-(3-Carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride
CID 90664513
5-[3-(5-Carbamimidoyl-3-pyridinyl)-1,2-oxazol-5-yl]pyridine-3-carboximidamide;dihydrochloride
CID 90664514
5-[3-(4-Carbamimidoylphenyl)-1,2-oxazol-5-yl]pyridine-3-carboximidamide;dihydrochloride
CID 90665013

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine (CID 153492948) is 3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine is c1ccc(-c2noc3cc(-c4cccnc4)ncc23)cc1.
What is the InChIKey of 3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is IFCPNCBFTJNHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O/c1-2-5-12(6-3-1)17-14-11-19-15(9-16(14)21-20-17)13-7-4-8-18-10-13/h1-11H.
What are the key properties of 3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine?
3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 273.30 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 153492948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).