5-[3-(difluoromethoxy)phenyl]-3-pyrimidin-5-yl-1,2-oxazole

C14H9F2N3O2 — CID 44546485

IUPAC5-[3-(difluoromethoxy)phenyl]-3-pyrimidin-5-yl-1,2-oxazole
SMILESFC(F)Oc1cccc(-c2cc(-c3cncnc3)no2)c1
InChIInChI=1S/C14H9F2N3O2/c15-14(16)20-11-3-1-2-9(4-11)13-5-12(19-21-13)10-6-17-8-18-7-10/h1-8,14H
InChIKeyRTLQCSLVHWFZFP-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.40
Rot. Bonds4

About 5-[3-(difluoromethoxy)phenyl]-3-pyrimidin-5-yl-1,2-oxazole

5-[3-(difluoromethoxy)phenyl]-3-pyrimidin-5-yl-1,2-oxazole (PubChem CID 44546485) has the molecular formula C14H9F2N3O2 and a molecular weight of 289.24 g/mol. Its IUPAC name is 5-[3-(difluoromethoxy)phenyl]-3-pyrimidin-5-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[3-(difluoromethoxy)phenyl]-3-pyrimidin-5-yl-1,2-oxazole
PubChem CID44546485
Molecular FormulaC14H9F2N3O2
Molecular Weight289.24 g/mol
Exact Mass289.07
IUPAC Name5-[3-(difluoromethoxy)phenyl]-3-pyrimidin-5-yl-1,2-oxazole
SMILESFC(F)Oc1cccc(-c2cc(-c3cncnc3)no2)c1
InChIInChI=1S/C14H9F2N3O2/c15-14(16)20-11-3-1-2-9(4-11)13-5-12(19-21-13)10-6-17-8-18-7-10/h1-8,14H
InChIKeyRTLQCSLVHWFZFP-UHFFFAOYSA-N
XLogP3.40
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethoxy)phenyl]-3-pyrimidin-5-yl-1,2-oxazole?
The IUPAC name of 5-[3-(difluoromethoxy)phenyl]-3-pyrimidin-5-yl-1,2-oxazole (CID 44546485) is 5-[3-(difluoromethoxy)phenyl]-3-pyrimidin-5-yl-1,2-oxazole.
What is the SMILES notation for 5-[3-(difluoromethoxy)phenyl]-3-pyrimidin-5-yl-1,2-oxazole?
The canonical SMILES for 5-[3-(difluoromethoxy)phenyl]-3-pyrimidin-5-yl-1,2-oxazole is FC(F)Oc1cccc(-c2cc(-c3cncnc3)no2)c1.
What is the InChIKey of 5-[3-(difluoromethoxy)phenyl]-3-pyrimidin-5-yl-1,2-oxazole?
The InChIKey is RTLQCSLVHWFZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O2/c15-14(16)20-11-3-1-2-9(4-11)13-5-12(19-21-13)10-6-17-8-18-7-10/h1-8,14H.
What are the key properties of 5-[3-(difluoromethoxy)phenyl]-3-pyrimidin-5-yl-1,2-oxazole?
5-[3-(difluoromethoxy)phenyl]-3-pyrimidin-5-yl-1,2-oxazole has a molecular weight of 289.24 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethoxy)phenyl]-3-pyrimidin-5-yl-1,2-oxazole is sourced from PubChem (CID 44546485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).