4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine

C20H19FN6O — CID 57463071

IUPAC4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
SMILESFc1ccc(-c2nc3occn3c2-c2ccnc(N[C@@H]3CCCNC3)n2)cc1
InChIInChI=1S/C20H19FN6O/c21-14-5-3-13(4-6-14)17-18(27-10-11-28-20(27)26-17)16-7-9-23-19(25-16)24-15-2-1-8-22-12-15/h3-7,9-11,15,22H,1-2,8,12H2,(H,23,24,25)/t15-/m1/s1
InChIKeySCJKDHISERMJQJ-OAHLLOKOSA-N
MW378.41 g/mol
LogP3.35
Rot. Bonds4

About 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine

4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine (PubChem CID 57463071) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
PubChem CID57463071
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
SMILESFc1ccc(-c2nc3occn3c2-c2ccnc(N[C@@H]3CCCNC3)n2)cc1
InChIInChI=1S/C20H19FN6O/c21-14-5-3-13(4-6-14)17-18(27-10-11-28-20(27)26-17)16-7-9-23-19(25-16)24-15-2-1-8-22-12-15/h3-7,9-11,15,22H,1-2,8,12H2,(H,23,24,25)/t15-/m1/s1
InChIKeySCJKDHISERMJQJ-OAHLLOKOSA-N
XLogP3.35
TPSA80.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine (CID 57463071) is 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine is Fc1ccc(-c2nc3occn3c2-c2ccnc(N[C@@H]3CCCNC3)n2)cc1.
What is the InChIKey of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is SCJKDHISERMJQJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19FN6O/c21-14-5-3-13(4-6-14)17-18(27-10-11-28-20(27)26-17)16-7-9-23-19(25-16)24-15-2-1-8-22-12-15/h3-7,9-11,15,22H,1-2,8,12H2,(H,23,24,25)/t15-/m1/s1.
What are the key properties of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine?
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 378.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 57463071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).