[2,6-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl 2,6-dimethylpiperazine-1-carboxylate

C19H23F2N3O4 — CID 69141410

IUPAC[2,6-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl 2,6-dimethylpiperazine-1-carboxylate
SMILESCc1cc(COc2cc(F)c(COC(=O)N3C(C)CNCC3C)c(F)c2)no1
InChIInChI=1S/C19H23F2N3O4/c1-11-7-22-8-12(2)24(11)19(25)27-10-16-17(20)5-15(6-18(16)21)26-9-14-4-13(3)28-23-14/h4-6,11-12,22H,7-10H2,1-3H3
InChIKeyTXALWIAGAVNAOE-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.16
Rot. Bonds5

About [2,6-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl 2,6-dimethylpiperazine-1-carboxylate

[2,6-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl 2,6-dimethylpiperazine-1-carboxylate (PubChem CID 69141410) has the molecular formula C19H23F2N3O4 and a molecular weight of 395.41 g/mol. Its IUPAC name is [2,6-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl 2,6-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[2,6-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl 2,6-dimethylpiperazine-1-carboxylate
PubChem CID69141410
Molecular FormulaC19H23F2N3O4
Molecular Weight395.41 g/mol
Exact Mass395.17
IUPAC Name[2,6-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl 2,6-dimethylpiperazine-1-carboxylate
SMILESCc1cc(COc2cc(F)c(COC(=O)N3C(C)CNCC3C)c(F)c2)no1
InChIInChI=1S/C19H23F2N3O4/c1-11-7-22-8-12(2)24(11)19(25)27-10-16-17(20)5-15(6-18(16)21)26-9-14-4-13(3)28-23-14/h4-6,11-12,22H,7-10H2,1-3H3
InChIKeyTXALWIAGAVNAOE-UHFFFAOYSA-N
XLogP3.16
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2,6-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl 2,6-dimethylpiperazine-1-carboxylate?
The IUPAC name of [2,6-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl 2,6-dimethylpiperazine-1-carboxylate (CID 69141410) is [2,6-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl 2,6-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for [2,6-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl 2,6-dimethylpiperazine-1-carboxylate?
The canonical SMILES for [2,6-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl 2,6-dimethylpiperazine-1-carboxylate is Cc1cc(COc2cc(F)c(COC(=O)N3C(C)CNCC3C)c(F)c2)no1.
What is the InChIKey of [2,6-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl 2,6-dimethylpiperazine-1-carboxylate?
The InChIKey is TXALWIAGAVNAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O4/c1-11-7-22-8-12(2)24(11)19(25)27-10-16-17(20)5-15(6-18(16)21)26-9-14-4-13(3)28-23-14/h4-6,11-12,22H,7-10H2,1-3H3.
What are the key properties of [2,6-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl 2,6-dimethylpiperazine-1-carboxylate?
[2,6-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl 2,6-dimethylpiperazine-1-carboxylate has a molecular weight of 395.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl 2,6-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 69141410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).