4-cyclopropyl-7-[5-(difluoromethoxy)pyrazin-2-yl]-3H-1,3-benzoxazol-2-one

C15H11F2N3O3 — CID 178073300

IUPAC4-cyclopropyl-7-[5-(difluoromethoxy)pyrazin-2-yl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2c(C3CC3)ccc(-c3cnc(OC(F)F)cn3)c2o1
InChIInChI=1S/C15H11F2N3O3/c16-14(17)22-11-6-18-10(5-19-11)9-4-3-8(7-1-2-7)12-13(9)23-15(21)20-12/h3-7,14H,1-2H2,(H,20,21)
InChIKeyYYFAXQVNHOJCCH-UHFFFAOYSA-N
MW319.27 g/mol
LogP3.06
Rot. Bonds4

About 4-cyclopropyl-7-[5-(difluoromethoxy)pyrazin-2-yl]-3H-1,3-benzoxazol-2-one

4-cyclopropyl-7-[5-(difluoromethoxy)pyrazin-2-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 178073300) has the molecular formula C15H11F2N3O3 and a molecular weight of 319.27 g/mol. Its IUPAC name is 4-cyclopropyl-7-[5-(difluoromethoxy)pyrazin-2-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name4-cyclopropyl-7-[5-(difluoromethoxy)pyrazin-2-yl]-3H-1,3-benzoxazol-2-one
PubChem CID178073300
Molecular FormulaC15H11F2N3O3
Molecular Weight319.27 g/mol
Exact Mass319.08
IUPAC Name4-cyclopropyl-7-[5-(difluoromethoxy)pyrazin-2-yl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2c(C3CC3)ccc(-c3cnc(OC(F)F)cn3)c2o1
InChIInChI=1S/C15H11F2N3O3/c16-14(17)22-11-6-18-10(5-19-11)9-4-3-8(7-1-2-7)12-13(9)23-15(21)20-12/h3-7,14H,1-2H2,(H,20,21)
InChIKeyYYFAXQVNHOJCCH-UHFFFAOYSA-N
XLogP3.06
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-7-[5-(difluoromethoxy)pyrazin-2-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 4-cyclopropyl-7-[5-(difluoromethoxy)pyrazin-2-yl]-3H-1,3-benzoxazol-2-one (CID 178073300) is 4-cyclopropyl-7-[5-(difluoromethoxy)pyrazin-2-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 4-cyclopropyl-7-[5-(difluoromethoxy)pyrazin-2-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 4-cyclopropyl-7-[5-(difluoromethoxy)pyrazin-2-yl]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2c(C3CC3)ccc(-c3cnc(OC(F)F)cn3)c2o1.
What is the InChIKey of 4-cyclopropyl-7-[5-(difluoromethoxy)pyrazin-2-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is YYFAXQVNHOJCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O3/c16-14(17)22-11-6-18-10(5-19-11)9-4-3-8(7-1-2-7)12-13(9)23-15(21)20-12/h3-7,14H,1-2H2,(H,20,21).
What are the key properties of 4-cyclopropyl-7-[5-(difluoromethoxy)pyrazin-2-yl]-3H-1,3-benzoxazol-2-one?
4-cyclopropyl-7-[5-(difluoromethoxy)pyrazin-2-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 319.27 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-7-[5-(difluoromethoxy)pyrazin-2-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 178073300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).