7-[4-(2-fluoroethoxy)pyrimidin-5-yl]-3-(2-methoxyphenyl)-1,2-benzoxazole

C20H16FN3O3 — CID 89478567

IUPAC7-[4-(2-fluoroethoxy)pyrimidin-5-yl]-3-(2-methoxyphenyl)-1,2-benzoxazole
SMILESCOc1ccccc1-c1noc2c(-c3cncnc3OCCF)cccc12
InChIInChI=1S/C20H16FN3O3/c1-25-17-8-3-2-5-14(17)18-15-7-4-6-13(19(15)27-24-18)16-11-22-12-23-20(16)26-10-9-21/h2-8,11-12H,9-10H2,1H3
InChIKeyJBKZHMPECIASCD-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.31
Rot. Bonds6

About 7-[4-(2-fluoroethoxy)pyrimidin-5-yl]-3-(2-methoxyphenyl)-1,2-benzoxazole

7-[4-(2-fluoroethoxy)pyrimidin-5-yl]-3-(2-methoxyphenyl)-1,2-benzoxazole (PubChem CID 89478567) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is 7-[4-(2-fluoroethoxy)pyrimidin-5-yl]-3-(2-methoxyphenyl)-1,2-benzoxazole.

Molecular Properties

Compound Name7-[4-(2-fluoroethoxy)pyrimidin-5-yl]-3-(2-methoxyphenyl)-1,2-benzoxazole
PubChem CID89478567
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC Name7-[4-(2-fluoroethoxy)pyrimidin-5-yl]-3-(2-methoxyphenyl)-1,2-benzoxazole
SMILESCOc1ccccc1-c1noc2c(-c3cncnc3OCCF)cccc12
InChIInChI=1S/C20H16FN3O3/c1-25-17-8-3-2-5-14(17)18-15-7-4-6-13(19(15)27-24-18)16-11-22-12-23-20(16)26-10-9-21/h2-8,11-12H,9-10H2,1H3
InChIKeyJBKZHMPECIASCD-UHFFFAOYSA-N
XLogP4.31
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-fluoroethoxy)pyrimidin-5-yl]-3-(2-methoxyphenyl)-1,2-benzoxazole?
The IUPAC name of 7-[4-(2-fluoroethoxy)pyrimidin-5-yl]-3-(2-methoxyphenyl)-1,2-benzoxazole (CID 89478567) is 7-[4-(2-fluoroethoxy)pyrimidin-5-yl]-3-(2-methoxyphenyl)-1,2-benzoxazole.
What is the SMILES notation for 7-[4-(2-fluoroethoxy)pyrimidin-5-yl]-3-(2-methoxyphenyl)-1,2-benzoxazole?
The canonical SMILES for 7-[4-(2-fluoroethoxy)pyrimidin-5-yl]-3-(2-methoxyphenyl)-1,2-benzoxazole is COc1ccccc1-c1noc2c(-c3cncnc3OCCF)cccc12.
What is the InChIKey of 7-[4-(2-fluoroethoxy)pyrimidin-5-yl]-3-(2-methoxyphenyl)-1,2-benzoxazole?
The InChIKey is JBKZHMPECIASCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3/c1-25-17-8-3-2-5-14(17)18-15-7-4-6-13(19(15)27-24-18)16-11-22-12-23-20(16)26-10-9-21/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 7-[4-(2-fluoroethoxy)pyrimidin-5-yl]-3-(2-methoxyphenyl)-1,2-benzoxazole?
7-[4-(2-fluoroethoxy)pyrimidin-5-yl]-3-(2-methoxyphenyl)-1,2-benzoxazole has a molecular weight of 365.36 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-fluoroethoxy)pyrimidin-5-yl]-3-(2-methoxyphenyl)-1,2-benzoxazole is sourced from PubChem (CID 89478567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).