N'-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide

C22H26N6O5 — CID 20766610

IUPACN'-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)CNC(=O)c2cc(C)n(C)n2)ccc1-c1cnco1
InChIInChI=1S/C22H26N6O5/c1-13-8-16(27-28(13)4)19(29)24-11-22(2,3)26-21(31)20(30)25-14-6-7-15(17(9-14)32-5)18-10-23-12-33-18/h6-10,12H,11H2,1-5H3,(H,24,29)(H,25,30)(H,26,31)
InChIKeyIXOOUXQDUSHLJL-UHFFFAOYSA-N
MW454.49 g/mol
LogP1.66
Rot. Bonds7

About N'-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide

N'-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide (PubChem CID 20766610) has the molecular formula C22H26N6O5 and a molecular weight of 454.49 g/mol. Its IUPAC name is N'-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
PubChem CID20766610
Molecular FormulaC22H26N6O5
Molecular Weight454.49 g/mol
Exact Mass454.20
IUPAC NameN'-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)CNC(=O)c2cc(C)n(C)n2)ccc1-c1cnco1
InChIInChI=1S/C22H26N6O5/c1-13-8-16(27-28(13)4)19(29)24-11-22(2,3)26-21(31)20(30)25-14-6-7-15(17(9-14)32-5)18-10-23-12-33-18/h6-10,12H,11H2,1-5H3,(H,24,29)(H,25,30)(H,26,31)
InChIKeyIXOOUXQDUSHLJL-UHFFFAOYSA-N
XLogP1.66
TPSA140.38 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The IUPAC name of N'-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide (CID 20766610) is N'-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide.
What is the SMILES notation for N'-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The canonical SMILES for N'-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide is COc1cc(NC(=O)C(=O)NC(C)(C)CNC(=O)c2cc(C)n(C)n2)ccc1-c1cnco1.
What is the InChIKey of N'-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
The InChIKey is IXOOUXQDUSHLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O5/c1-13-8-16(27-28(13)4)19(29)24-11-22(2,3)26-21(31)20(30)25-14-6-7-15(17(9-14)32-5)18-10-23-12-33-18/h6-10,12H,11H2,1-5H3,(H,24,29)(H,25,30)(H,26,31).
What are the key properties of N'-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide?
N'-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide has a molecular weight of 454.49 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide is sourced from PubChem (CID 20766610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).