1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide

C27H28FN5O2 — CID 92877403

IUPAC1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)C1CCN(c2ncnc3onc(-c4cccc(F)c4)c23)CC1
InChIInChI=1S/C27H28FN5O2/c1-18(10-11-19-6-3-2-4-7-19)31-26(34)20-12-14-33(15-13-20)25-23-24(21-8-5-9-22(28)16-21)32-35-27(23)30-17-29-25/h2-9,16-18,20H,10-15H2,1H3,(H,31,34)/t18-/m1/s1
InChIKeyQAFPCAHNAPVOFZ-GOSISDBHSA-N
MW473.55 g/mol
LogP4.78
Rot. Bonds7

About 1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide

1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide (PubChem CID 92877403) has the molecular formula C27H28FN5O2 and a molecular weight of 473.55 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide
PubChem CID92877403
Molecular FormulaC27H28FN5O2
Molecular Weight473.55 g/mol
Exact Mass473.22
IUPAC Name1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)C1CCN(c2ncnc3onc(-c4cccc(F)c4)c23)CC1
InChIInChI=1S/C27H28FN5O2/c1-18(10-11-19-6-3-2-4-7-19)31-26(34)20-12-14-33(15-13-20)25-23-24(21-8-5-9-22(28)16-21)32-35-27(23)30-17-29-25/h2-9,16-18,20H,10-15H2,1H3,(H,31,34)/t18-/m1/s1
InChIKeyQAFPCAHNAPVOFZ-GOSISDBHSA-N
XLogP4.78
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide (CID 92877403) is 1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide is C[C@H](CCc1ccccc1)NC(=O)C1CCN(c2ncnc3onc(-c4cccc(F)c4)c23)CC1.
What is the InChIKey of 1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide?
The InChIKey is QAFPCAHNAPVOFZ-GOSISDBHSA-N. The full InChI is InChI=1S/C27H28FN5O2/c1-18(10-11-19-6-3-2-4-7-19)31-26(34)20-12-14-33(15-13-20)25-23-24(21-8-5-9-22(28)16-21)32-35-27(23)30-17-29-25/h2-9,16-18,20H,10-15H2,1H3,(H,31,34)/t18-/m1/s1.
What are the key properties of 1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide?
1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 92877403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).