1,2-difluoro-3-methoxybenzene;N-[6-(hydroxymethyl)pyrazin-2-yl]-5-methyloxolane-2-carboxamide

C18H21F2N3O4 — CID 166160830

IUPAC1,2-difluoro-3-methoxybenzene;N-[6-(hydroxymethyl)pyrazin-2-yl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2cncc(CO)n2)O1.COc1cccc(F)c1F
InChIInChI=1S/C11H15N3O3.C7H6F2O/c1-7-2-3-9(17-7)11(16)14-10-5-12-4-8(6-15)13-10;1-10-6-4-2-3-5(8)7(6)9/h4-5,7,9,15H,2-3,6H2,1H3,(H,13,14,16);2-4H,1H3
InChIKeyCFYCNVGXWBTVJI-UHFFFAOYSA-N
MW381.38 g/mol
LogP2.45
Rot. Bonds4

About 1,2-difluoro-3-methoxybenzene;N-[6-(hydroxymethyl)pyrazin-2-yl]-5-methyloxolane-2-carboxamide

1,2-difluoro-3-methoxybenzene;N-[6-(hydroxymethyl)pyrazin-2-yl]-5-methyloxolane-2-carboxamide (PubChem CID 166160830) has the molecular formula C18H21F2N3O4 and a molecular weight of 381.38 g/mol. Its IUPAC name is 1,2-difluoro-3-methoxybenzene;N-[6-(hydroxymethyl)pyrazin-2-yl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name1,2-difluoro-3-methoxybenzene;N-[6-(hydroxymethyl)pyrazin-2-yl]-5-methyloxolane-2-carboxamide
PubChem CID166160830
Molecular FormulaC18H21F2N3O4
Molecular Weight381.38 g/mol
Exact Mass381.15
IUPAC Name1,2-difluoro-3-methoxybenzene;N-[6-(hydroxymethyl)pyrazin-2-yl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2cncc(CO)n2)O1.COc1cccc(F)c1F
InChIInChI=1S/C11H15N3O3.C7H6F2O/c1-7-2-3-9(17-7)11(16)14-10-5-12-4-8(6-15)13-10;1-10-6-4-2-3-5(8)7(6)9/h4-5,7,9,15H,2-3,6H2,1H3,(H,13,14,16);2-4H,1H3
InChIKeyCFYCNVGXWBTVJI-UHFFFAOYSA-N
XLogP2.45
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-difluoro-3-methoxybenzene;N-[2-(hydroxymethyl)-3-methylimidazol-4-yl]-5-methyloxolane-2-carboxamide
CID 166160892
1,2-difluoro-3-methoxybenzene;methyl 5-methyloxolane-2-carboxylate
CID 178082904
1,2-difluoro-3-methoxybenzene;5-methyl-N-[2-(methylamino)-4-pyridinyl]oxolane-2-carboxamide
CID 166161077
1,2-difluoro-3-methoxybenzene;(2R)-N-(3-hydroxy-2,3-dihydrofuro[3,2-b]pyridin-6-yl)-5-methyloxolane-2-carboxamide
CID 166160281
3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166159979
N-(3H-benzimidazol-5-yl)-5-methyloxolane-2-carboxamide;1,2-difluoro-3-methoxybenzene
CID 166160168
1,2-difluoro-3-methoxybenzene;ethane;N-[2-[2-(methylamino)ethoxy]ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177357824
(2R,5R)-N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166159129
2-(2,3-difluorophenoxy)ethanol;N-[1-(3-fluorocyclobutyl)-1,2,4-triazol-3-yl]-5-methyloxolane-2-carboxamide
CID 166160861
1,2-difluoro-3-methoxybenzene;ethane;5-methyl-N-[2-(2-oxopiperazin-1-yl)-4-pyridinyl]oxolane-2-carboxamide
CID 166161169
1,2-difluoro-3-methoxybenzene;5-methyl-N-(2-methyl-4-pyridinyl)oxolane-2-carboxamide;6-oxa-3-azabicyclo[3.1.1]heptane-3-carbaldehyde
CID 166159460
1,2-difluoro-3-propan-2-yloxybenzene;5-methyl-N-(4-methylsulfinyl-2-pyridinyl)oxolane-2-carboxamide
CID 166160710

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-methoxybenzene;N-[6-(hydroxymethyl)pyrazin-2-yl]-5-methyloxolane-2-carboxamide?
The IUPAC name of 1,2-difluoro-3-methoxybenzene;N-[6-(hydroxymethyl)pyrazin-2-yl]-5-methyloxolane-2-carboxamide (CID 166160830) is 1,2-difluoro-3-methoxybenzene;N-[6-(hydroxymethyl)pyrazin-2-yl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for 1,2-difluoro-3-methoxybenzene;N-[6-(hydroxymethyl)pyrazin-2-yl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for 1,2-difluoro-3-methoxybenzene;N-[6-(hydroxymethyl)pyrazin-2-yl]-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)Nc2cncc(CO)n2)O1.COc1cccc(F)c1F.
What is the InChIKey of 1,2-difluoro-3-methoxybenzene;N-[6-(hydroxymethyl)pyrazin-2-yl]-5-methyloxolane-2-carboxamide?
The InChIKey is CFYCNVGXWBTVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3.C7H6F2O/c1-7-2-3-9(17-7)11(16)14-10-5-12-4-8(6-15)13-10;1-10-6-4-2-3-5(8)7(6)9/h4-5,7,9,15H,2-3,6H2,1H3,(H,13,14,16);2-4H,1H3.
What are the key properties of 1,2-difluoro-3-methoxybenzene;N-[6-(hydroxymethyl)pyrazin-2-yl]-5-methyloxolane-2-carboxamide?
1,2-difluoro-3-methoxybenzene;N-[6-(hydroxymethyl)pyrazin-2-yl]-5-methyloxolane-2-carboxamide has a molecular weight of 381.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-methoxybenzene;N-[6-(hydroxymethyl)pyrazin-2-yl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 166160830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).