N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide

C24H26N4O4 — CID 166205715

IUPACN-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)Nc2ccc(-c3ccn[nH]3)cc2)c(OCC2CCOC2)c1
InChIInChI=1S/C24H26N4O4/c1-16-2-3-19(22(12-16)32-15-17-9-11-31-14-17)13-25-23(29)24(30)27-20-6-4-18(5-7-20)21-8-10-26-28-21/h2-8,10,12,17H,9,11,13-15H2,1H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyHDGFXEHSQXNXFD-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.06
Rot. Bonds7

About N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide

N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide (PubChem CID 166205715) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide
PubChem CID166205715
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)Nc2ccc(-c3ccn[nH]3)cc2)c(OCC2CCOC2)c1
InChIInChI=1S/C24H26N4O4/c1-16-2-3-19(22(12-16)32-15-17-9-11-31-14-17)13-25-23(29)24(30)27-20-6-4-18(5-7-20)21-8-10-26-28-21/h2-8,10,12,17H,9,11,13-15H2,1H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyHDGFXEHSQXNXFD-UHFFFAOYSA-N
XLogP3.06
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 71921983
6-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 71856661
1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea
CID 97055346
N-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 97052061
2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 86814910
(2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120936179
N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 71972558
N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120936185
1-(1H-indazol-5-yl)-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea
CID 166217844
1-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971572
6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile
CID 97070107
5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133490946

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide?
The IUPAC name of N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide (CID 166205715) is N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide.
What is the SMILES notation for N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide?
The canonical SMILES for N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide is Cc1ccc(CNC(=O)C(=O)Nc2ccc(-c3ccn[nH]3)cc2)c(OCC2CCOC2)c1.
What is the InChIKey of N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide?
The InChIKey is HDGFXEHSQXNXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-16-2-3-19(22(12-16)32-15-17-9-11-31-14-17)13-25-23(29)24(30)27-20-6-4-18(5-7-20)21-8-10-26-28-21/h2-8,10,12,17H,9,11,13-15H2,1H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide?
N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide has a molecular weight of 434.50 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide is sourced from PubChem (CID 166205715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).