N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide

C22H21N5O4 — CID 92884725

IUPACN-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1ccc(-c2ccc(=O)n(Cc3noc(C(=O)N[C@H](C)Cc4ccco4)n3)n2)cc1
InChIInChI=1S/C22H21N5O4/c1-14-5-7-16(8-6-14)18-9-10-20(28)27(25-18)13-19-24-22(31-26-19)21(29)23-15(2)12-17-4-3-11-30-17/h3-11,15H,12-13H2,1-2H3,(H,23,29)/t15-/m1/s1
InChIKeyMIGDZJOUJJXXQF-OAHLLOKOSA-N
MW419.44 g/mol
LogP2.60
Rot. Bonds7

About N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide

N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 92884725) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID92884725
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC NameN-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1ccc(-c2ccc(=O)n(Cc3noc(C(=O)N[C@H](C)Cc4ccco4)n3)n2)cc1
InChIInChI=1S/C22H21N5O4/c1-14-5-7-16(8-6-14)18-9-10-20(28)27(25-18)13-19-24-22(31-26-19)21(29)23-15(2)12-17-4-3-11-30-17/h3-11,15H,12-13H2,1-2H3,(H,23,29)/t15-/m1/s1
InChIKeyMIGDZJOUJJXXQF-OAHLLOKOSA-N
XLogP2.60
TPSA116.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 92884725) is N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide is Cc1ccc(-c2ccc(=O)n(Cc3noc(C(=O)N[C@H](C)Cc4ccco4)n3)n2)cc1.
What is the InChIKey of N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is MIGDZJOUJJXXQF-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-14-5-7-16(8-6-14)18-9-10-20(28)27(25-18)13-19-24-22(31-26-19)21(29)23-15(2)12-17-4-3-11-30-17/h3-11,15H,12-13H2,1-2H3,(H,23,29)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 419.44 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 92884725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).