(4R)-4-(difluoromethyl)-3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one

C14H10F4N2O5 — CID 90283997

IUPAC(4R)-4-(difluoromethyl)-3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](C(F)F)N1c1noc2c(F)c(F)c(C3OCCO3)cc12
InChIInChI=1S/C14H10F4N2O5/c15-8-5(13-22-1-2-23-13)3-6-10(9(8)16)25-19-12(6)20-7(11(17)18)4-24-14(20)21/h3,7,11,13H,1-2,4H2/t7-/m1/s1
InChIKeyJRVMPOQPUHYLNE-SSDOTTSWSA-N
MW362.24 g/mol
LogP2.74
Rot. Bonds3

About (4R)-4-(difluoromethyl)-3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one

(4R)-4-(difluoromethyl)-3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one (PubChem CID 90283997) has the molecular formula C14H10F4N2O5 and a molecular weight of 362.24 g/mol. Its IUPAC name is (4R)-4-(difluoromethyl)-3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(difluoromethyl)-3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one
PubChem CID90283997
Molecular FormulaC14H10F4N2O5
Molecular Weight362.24 g/mol
Exact Mass362.05
IUPAC Name(4R)-4-(difluoromethyl)-3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](C(F)F)N1c1noc2c(F)c(F)c(C3OCCO3)cc12
InChIInChI=1S/C14H10F4N2O5/c15-8-5(13-22-1-2-23-13)3-6-10(9(8)16)25-19-12(6)20-7(11(17)18)4-24-14(20)21/h3,7,11,13H,1-2,4H2/t7-/m1/s1
InChIKeyJRVMPOQPUHYLNE-SSDOTTSWSA-N
XLogP2.74
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(difluoromethyl)-3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(difluoromethyl)-3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one (CID 90283997) is (4R)-4-(difluoromethyl)-3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-(difluoromethyl)-3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(difluoromethyl)-3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one is O=C1OC[C@H](C(F)F)N1c1noc2c(F)c(F)c(C3OCCO3)cc12.
What is the InChIKey of (4R)-4-(difluoromethyl)-3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is JRVMPOQPUHYLNE-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H10F4N2O5/c15-8-5(13-22-1-2-23-13)3-6-10(9(8)16)25-19-12(6)20-7(11(17)18)4-24-14(20)21/h3,7,11,13H,1-2,4H2/t7-/m1/s1.
What are the key properties of (4R)-4-(difluoromethyl)-3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one?
(4R)-4-(difluoromethyl)-3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 362.24 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(difluoromethyl)-3-[5-(1,3-dioxolan-2-yl)-6,7-difluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90283997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).