N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide

C20H22FN3O3 — CID 45165907

IUPACN-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
SMILESCc1cnc(C)c(-c2cc(F)cc3c2OC(CNC(=O)C2CCOC2)C3)n1
InChIInChI=1S/C20H22FN3O3/c1-11-8-22-12(2)18(24-11)17-7-15(21)5-14-6-16(27-19(14)17)9-23-20(25)13-3-4-26-10-13/h5,7-8,13,16H,3-4,6,9-10H2,1-2H3,(H,23,25)
InChIKeyVXZZRNSGHFRSKR-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.36
Rot. Bonds4

About N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide

N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide (PubChem CID 45165907) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
PubChem CID45165907
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC NameN-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
SMILESCc1cnc(C)c(-c2cc(F)cc3c2OC(CNC(=O)C2CCOC2)C3)n1
InChIInChI=1S/C20H22FN3O3/c1-11-8-22-12(2)18(24-11)17-7-15(21)5-14-6-16(27-19(14)17)9-23-20(25)13-3-4-26-10-13/h5,7-8,13,16H,3-4,6,9-10H2,1-2H3,(H,23,25)
InChIKeyVXZZRNSGHFRSKR-UHFFFAOYSA-N
XLogP2.36
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide with MolForge

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Related Compounds

3-(2-fluorophenyl)-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45166729
(S)-1-(6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl)-N-((tetrahydrofuran-2-yl)methyl)methanamine
CID 54582822
(E)-N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide
CID 45165951
(E)-N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-pyridin-2-ylprop-2-enamide
CID 45225344
(2E)-N-{[7-(3,6-dimethyl-2-pyrazinyl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl}-3-(2-thienyl)acrylamide
CID 45165699
1-methyl-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxamide
CID 45167496
5-chloro-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45165502
3-chloro-4-fluoro-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45165574
3-chloro-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45165919
N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylsulfanylbenzamide
CID 45166691
[(1R)-1-[3-(5-methoxy-2-pyridinyl)propanoylamino]-2-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]boronic acid
CID 140861645
(E)-3-(3,4-difluorophenyl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 45165516

Frequently Asked Questions

What is the IUPAC name of N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide (CID 45165907) is N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide is Cc1cnc(C)c(-c2cc(F)cc3c2OC(CNC(=O)C2CCOC2)C3)n1.
What is the InChIKey of N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide?
The InChIKey is VXZZRNSGHFRSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-11-8-22-12(2)18(24-11)17-7-15(21)5-14-6-16(27-19(14)17)9-23-20(25)13-3-4-26-10-13/h5,7-8,13,16H,3-4,6,9-10H2,1-2H3,(H,23,25).
What are the key properties of N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide?
N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 45165907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).