3-(4-fluorophenyl)-7-pyrrolo[1,2-c]pyrimidin-4-yl-1,2-benzoxazole

C20H12FN3O — CID 71544318

IUPAC3-(4-fluorophenyl)-7-pyrrolo[1,2-c]pyrimidin-4-yl-1,2-benzoxazole
SMILESFc1ccc(-c2noc3c(-c4cncn5cccc45)cccc23)cc1
InChIInChI=1S/C20H12FN3O/c21-14-8-6-13(7-9-14)19-16-4-1-3-15(20(16)25-23-19)17-11-22-12-24-10-2-5-18(17)24/h1-12H
InChIKeyLMBQCQQYYXDLOR-UHFFFAOYSA-N
MW329.33 g/mol
LogP4.95
Rot. Bonds2

About 3-(4-fluorophenyl)-7-pyrrolo[1,2-c]pyrimidin-4-yl-1,2-benzoxazole

3-(4-fluorophenyl)-7-pyrrolo[1,2-c]pyrimidin-4-yl-1,2-benzoxazole (PubChem CID 71544318) has the molecular formula C20H12FN3O and a molecular weight of 329.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7-pyrrolo[1,2-c]pyrimidin-4-yl-1,2-benzoxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7-pyrrolo[1,2-c]pyrimidin-4-yl-1,2-benzoxazole
PubChem CID71544318
Molecular FormulaC20H12FN3O
Molecular Weight329.33 g/mol
Exact Mass329.10
IUPAC Name3-(4-fluorophenyl)-7-pyrrolo[1,2-c]pyrimidin-4-yl-1,2-benzoxazole
SMILESFc1ccc(-c2noc3c(-c4cncn5cccc45)cccc23)cc1
InChIInChI=1S/C20H12FN3O/c21-14-8-6-13(7-9-14)19-16-4-1-3-15(20(16)25-23-19)17-11-22-12-24-10-2-5-18(17)24/h1-12H
InChIKeyLMBQCQQYYXDLOR-UHFFFAOYSA-N
XLogP4.95
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7-pyrrolo[1,2-c]pyrimidin-4-yl-1,2-benzoxazole?
The IUPAC name of 3-(4-fluorophenyl)-7-pyrrolo[1,2-c]pyrimidin-4-yl-1,2-benzoxazole (CID 71544318) is 3-(4-fluorophenyl)-7-pyrrolo[1,2-c]pyrimidin-4-yl-1,2-benzoxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-7-pyrrolo[1,2-c]pyrimidin-4-yl-1,2-benzoxazole?
The canonical SMILES for 3-(4-fluorophenyl)-7-pyrrolo[1,2-c]pyrimidin-4-yl-1,2-benzoxazole is Fc1ccc(-c2noc3c(-c4cncn5cccc45)cccc23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-7-pyrrolo[1,2-c]pyrimidin-4-yl-1,2-benzoxazole?
The InChIKey is LMBQCQQYYXDLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN3O/c21-14-8-6-13(7-9-14)19-16-4-1-3-15(20(16)25-23-19)17-11-22-12-24-10-2-5-18(17)24/h1-12H.
What are the key properties of 3-(4-fluorophenyl)-7-pyrrolo[1,2-c]pyrimidin-4-yl-1,2-benzoxazole?
3-(4-fluorophenyl)-7-pyrrolo[1,2-c]pyrimidin-4-yl-1,2-benzoxazole has a molecular weight of 329.33 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7-pyrrolo[1,2-c]pyrimidin-4-yl-1,2-benzoxazole is sourced from PubChem (CID 71544318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).