6-fluoro-N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide

C19H24FN5O4 — CID 91390103

IUPAC6-fluoro-N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCOCc1noc(NC(=O)C2CCc3cc(F)cc(N4CCN(C)CC4)c3O2)n1
InChIInChI=1S/C19H24FN5O4/c1-24-5-7-25(8-6-24)14-10-13(20)9-12-3-4-15(28-17(12)14)18(26)22-19-21-16(11-27-2)23-29-19/h9-10,15H,3-8,11H2,1-2H3,(H,21,22,23,26)
InChIKeyJXYDRVDXLASXTJ-UHFFFAOYSA-N
MW405.43 g/mol
LogP1.44
Rot. Bonds5

About 6-fluoro-N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide

6-fluoro-N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 91390103) has the molecular formula C19H24FN5O4 and a molecular weight of 405.43 g/mol. Its IUPAC name is 6-fluoro-N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID91390103
Molecular FormulaC19H24FN5O4
Molecular Weight405.43 g/mol
Exact Mass405.18
IUPAC Name6-fluoro-N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCOCc1noc(NC(=O)C2CCc3cc(F)cc(N4CCN(C)CC4)c3O2)n1
InChIInChI=1S/C19H24FN5O4/c1-24-5-7-25(8-6-24)14-10-13(20)9-12-3-4-15(28-17(12)14)18(26)22-19-21-16(11-27-2)23-29-19/h9-10,15H,3-8,11H2,1-2H3,(H,21,22,23,26)
InChIKeyJXYDRVDXLASXTJ-UHFFFAOYSA-N
XLogP1.44
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of 6-fluoro-N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide (CID 91390103) is 6-fluoro-N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide is COCc1noc(NC(=O)C2CCc3cc(F)cc(N4CCN(C)CC4)c3O2)n1.
What is the InChIKey of 6-fluoro-N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is JXYDRVDXLASXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O4/c1-24-5-7-25(8-6-24)14-10-13(20)9-12-3-4-15(28-17(12)14)18(26)22-19-21-16(11-27-2)23-29-19/h9-10,15H,3-8,11H2,1-2H3,(H,21,22,23,26).
What are the key properties of 6-fluoro-N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide?
6-fluoro-N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 91390103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).