N-cyclohexyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-amine

C18H19N3O — CID 71263683

IUPACN-cyclohexyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-amine
SMILESc1ccc(-c2nc3ccc(NC4CCCCC4)nc3o2)cc1
InChIInChI=1S/C18H19N3O/c1-3-7-13(8-4-1)17-20-15-11-12-16(21-18(15)22-17)19-14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H,19,21)
InChIKeyYEVDDJQQSVGUIQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.63
Rot. Bonds3

About N-cyclohexyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-amine

N-cyclohexyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-amine (PubChem CID 71263683) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-cyclohexyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-amine
PubChem CID71263683
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-cyclohexyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-amine
SMILESc1ccc(-c2nc3ccc(NC4CCCCC4)nc3o2)cc1
InChIInChI=1S/C18H19N3O/c1-3-7-13(8-4-1)17-20-15-11-12-16(21-18(15)22-17)19-14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H,19,21)
InChIKeyYEVDDJQQSVGUIQ-UHFFFAOYSA-N
XLogP4.63
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-amine?
The IUPAC name of N-cyclohexyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-amine (CID 71263683) is N-cyclohexyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-amine.
What is the SMILES notation for N-cyclohexyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-amine?
The canonical SMILES for N-cyclohexyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-amine is c1ccc(-c2nc3ccc(NC4CCCCC4)nc3o2)cc1.
What is the InChIKey of N-cyclohexyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-amine?
The InChIKey is YEVDDJQQSVGUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-7-13(8-4-1)17-20-15-11-12-16(21-18(15)22-17)19-14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H,19,21).
What are the key properties of N-cyclohexyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-amine?
N-cyclohexyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-amine has a molecular weight of 293.37 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-amine is sourced from PubChem (CID 71263683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).