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

C17H16FN5O2 — CID 20922540

IUPAC1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncnc3onc(-c4ccc(F)cc4)c23)CC1
InChIInChI=1S/C17H16FN5O2/c18-12-3-1-10(2-4-12)14-13-16(20-9-21-17(13)25-22-14)23-7-5-11(6-8-23)15(19)24/h1-4,9,11H,5-8H2,(H2,19,24)
InChIKeyDLNHMSCCMKFPOE-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.13
Rot. Bonds3

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

1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 20922540) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID20922540
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncnc3onc(-c4ccc(F)cc4)c23)CC1
InChIInChI=1S/C17H16FN5O2/c18-12-3-1-10(2-4-12)14-13-16(20-9-21-17(13)25-22-14)23-7-5-11(6-8-23)15(19)24/h1-4,9,11H,5-8H2,(H2,19,24)
InChIKeyDLNHMSCCMKFPOE-UHFFFAOYSA-N
XLogP2.13
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide (CID 20922540) is 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ncnc3onc(-c4ccc(F)cc4)c23)CC1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is DLNHMSCCMKFPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c18-12-3-1-10(2-4-12)14-13-16(20-9-21-17(13)25-22-14)23-7-5-11(6-8-23)15(19)24/h1-4,9,11H,5-8H2,(H2,19,24).
What are the key properties of 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 341.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 20922540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).