1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C20H25N5O5S — CID 118757011

IUPAC1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1oc(-c2cccc(NS(=O)(=O)C(C)C)c2)nc1CNC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C20H25N5O5S/c1-12(2)31(28,29)24-15-7-5-6-14(10-15)20-22-17(13(3)30-20)11-21-19(27)16-8-9-18(26)25(4)23-16/h5-7,10,12,24H,8-9,11H2,1-4H3,(H,21,27)
InChIKeyXMRBMDVMNNQXRB-UHFFFAOYSA-N
MW447.52 g/mol
LogP2.02
Rot. Bonds7

About 1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 118757011) has the molecular formula C20H25N5O5S and a molecular weight of 447.52 g/mol. Its IUPAC name is 1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID118757011
Molecular FormulaC20H25N5O5S
Molecular Weight447.52 g/mol
Exact Mass447.16
IUPAC Name1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1oc(-c2cccc(NS(=O)(=O)C(C)C)c2)nc1CNC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C20H25N5O5S/c1-12(2)31(28,29)24-15-7-5-6-14(10-15)20-22-17(13(3)30-20)11-21-19(27)16-8-9-18(26)25(4)23-16/h5-7,10,12,24H,8-9,11H2,1-4H3,(H,21,27)
InChIKeyXMRBMDVMNNQXRB-UHFFFAOYSA-N
XLogP2.02
TPSA133.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 42378532
1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohexane-1-carboxamide
CID 42407531
N-[[2-[2-(benzylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 42165488
2-methyl-N-[3-[5-methyl-4-[[3-(2-oxopiperidin-1-yl)propanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide
CID 118754272
2,5-dimethyl-N-[3-[5-methyl-4-[[[(2R)-2-methylbutanoyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide
CID 42324291
N-[[2-[3-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-4-(2-methylpropyl)benzamide
CID 42166903
2-methyl-N-[[5-methyl-2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 42398179
N-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide
CID 118754253
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea
CID 46344183
N-[3-[5-methyl-4-[[[2-(3-methylphenyl)acetyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide
CID 42247588
4-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 20955421
5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42421181

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 118757011) is 1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1oc(-c2cccc(NS(=O)(=O)C(C)C)c2)nc1CNC(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of 1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is XMRBMDVMNNQXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O5S/c1-12(2)31(28,29)24-15-7-5-6-14(10-15)20-22-17(13(3)30-20)11-21-19(27)16-8-9-18(26)25(4)23-16/h5-7,10,12,24H,8-9,11H2,1-4H3,(H,21,27).
What are the key properties of 1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 118757011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).