3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1,3-oxazolidin-2-one

C18H16F2N6O3 — CID 167438903

IUPAC3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1,3-oxazolidin-2-one
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCOC2=O)nn1
InChIInChI=1S/C18H16F2N6O3/c1-11-14(26(24-21-11)13-4-2-12(3-5-13)17(19)20)10-29-16-7-6-15(22-23-16)25-8-9-28-18(25)27/h2-7,17H,8-10H2,1H3
InChIKeyMVCCGUFWBDSIHW-UHFFFAOYSA-N
MW402.36 g/mol
LogP2.84
Rot. Bonds6

About 3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1,3-oxazolidin-2-one

3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1,3-oxazolidin-2-one (PubChem CID 167438903) has the molecular formula C18H16F2N6O3 and a molecular weight of 402.36 g/mol. Its IUPAC name is 3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1,3-oxazolidin-2-one
PubChem CID167438903
Molecular FormulaC18H16F2N6O3
Molecular Weight402.36 g/mol
Exact Mass402.13
IUPAC Name3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1,3-oxazolidin-2-one
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCOC2=O)nn1
InChIInChI=1S/C18H16F2N6O3/c1-11-14(26(24-21-11)13-4-2-12(3-5-13)17(19)20)10-29-16-7-6-15(22-23-16)25-8-9-28-18(25)27/h2-7,17H,8-10H2,1H3
InChIKeyMVCCGUFWBDSIHW-UHFFFAOYSA-N
XLogP2.84
TPSA95.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1,3-oxazolidin-2-one (CID 167438903) is 3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1,3-oxazolidin-2-one is Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCOC2=O)nn1.
What is the InChIKey of 3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is MVCCGUFWBDSIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N6O3/c1-11-14(26(24-21-11)13-4-2-12(3-5-13)17(19)20)10-29-16-7-6-15(22-23-16)25-8-9-28-18(25)27/h2-7,17H,8-10H2,1H3.
What are the key properties of 3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1,3-oxazolidin-2-one?
3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 402.36 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 167438903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).