4-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-2-amine

C22H19N5O — CID 56747199

IUPAC4-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-2-amine
SMILESNc1nccc(N2CCc3onc(-c4ccc(-c5ccccc5)cc4)c3C2)n1
InChIInChI=1S/C22H19N5O/c23-22-24-12-10-20(25-22)27-13-11-19-18(14-27)21(26-28-19)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-10,12H,11,13-14H2,(H2,23,24,25)
InChIKeyHKRPEWIZUWJISN-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.94
Rot. Bonds3

About 4-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-2-amine

4-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-2-amine (PubChem CID 56747199) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-2-amine
PubChem CID56747199
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name4-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-2-amine
SMILESNc1nccc(N2CCc3onc(-c4ccc(-c5ccccc5)cc4)c3C2)n1
InChIInChI=1S/C22H19N5O/c23-22-24-12-10-20(25-22)27-13-11-19-18(14-27)21(26-28-19)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-10,12H,11,13-14H2,(H2,23,24,25)
InChIKeyHKRPEWIZUWJISN-UHFFFAOYSA-N
XLogP3.94
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-2-amine (CID 56747199) is 4-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-2-amine is Nc1nccc(N2CCc3onc(-c4ccc(-c5ccccc5)cc4)c3C2)n1.
What is the InChIKey of 4-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-2-amine?
The InChIKey is HKRPEWIZUWJISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c23-22-24-12-10-20(25-22)27-13-11-19-18(14-27)21(26-28-19)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-10,12H,11,13-14H2,(H2,23,24,25).
What are the key properties of 4-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-2-amine?
4-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-2-amine has a molecular weight of 369.43 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 56747199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).