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

C19H18N4O3 — CID 167920541

IUPACN-[4-(3-methylphenoxy)phenyl]-N'-(5-methyl-1H-pyrazol-4-yl)oxamide
SMILESCc1cccc(Oc2ccc(NC(=O)C(=O)Nc3cn[nH]c3C)cc2)c1
InChIInChI=1S/C19H18N4O3/c1-12-4-3-5-16(10-12)26-15-8-6-14(7-9-15)21-18(24)19(25)22-17-11-20-23-13(17)2/h3-11H,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyPHPLEICHBLJVOM-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.40
Rot. Bonds4

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

N-[4-(3-methylphenoxy)phenyl]-N'-(5-methyl-1H-pyrazol-4-yl)oxamide (PubChem CID 167920541) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[4-(3-methylphenoxy)phenyl]-N'-(5-methyl-1H-pyrazol-4-yl)oxamide.

Molecular Properties

Compound NameN-[4-(3-methylphenoxy)phenyl]-N'-(5-methyl-1H-pyrazol-4-yl)oxamide
PubChem CID167920541
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-[4-(3-methylphenoxy)phenyl]-N'-(5-methyl-1H-pyrazol-4-yl)oxamide
SMILESCc1cccc(Oc2ccc(NC(=O)C(=O)Nc3cn[nH]c3C)cc2)c1
InChIInChI=1S/C19H18N4O3/c1-12-4-3-5-16(10-12)26-15-8-6-14(7-9-15)21-18(24)19(25)22-17-11-20-23-13(17)2/h3-11H,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyPHPLEICHBLJVOM-UHFFFAOYSA-N
XLogP3.40
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methylphenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11359988
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
N'-[(1R)-1-(3-hydroxyphenyl)ethyl]-N-[4-(3-methylphenoxy)phenyl]oxamide
CID 99818668
N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650962
N-[(3-methylphenyl)methyl]-N'-(4-phenoxyphenyl)oxamide
CID 108984794
N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266283
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide
CID 46582218
[4-(3-methylphenoxy)phenyl]hydrazine
CID 69023705
(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7925185
2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3937440
2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 5085866

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylphenoxy)phenyl]-N'-(5-methyl-1H-pyrazol-4-yl)oxamide?
The IUPAC name of N-[4-(3-methylphenoxy)phenyl]-N'-(5-methyl-1H-pyrazol-4-yl)oxamide (CID 167920541) is N-[4-(3-methylphenoxy)phenyl]-N'-(5-methyl-1H-pyrazol-4-yl)oxamide.
What is the SMILES notation for N-[4-(3-methylphenoxy)phenyl]-N'-(5-methyl-1H-pyrazol-4-yl)oxamide?
The canonical SMILES for N-[4-(3-methylphenoxy)phenyl]-N'-(5-methyl-1H-pyrazol-4-yl)oxamide is Cc1cccc(Oc2ccc(NC(=O)C(=O)Nc3cn[nH]c3C)cc2)c1.
What is the InChIKey of N-[4-(3-methylphenoxy)phenyl]-N'-(5-methyl-1H-pyrazol-4-yl)oxamide?
The InChIKey is PHPLEICHBLJVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-12-4-3-5-16(10-12)26-15-8-6-14(7-9-15)21-18(24)19(25)22-17-11-20-23-13(17)2/h3-11H,1-2H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-[4-(3-methylphenoxy)phenyl]-N'-(5-methyl-1H-pyrazol-4-yl)oxamide?
N-[4-(3-methylphenoxy)phenyl]-N'-(5-methyl-1H-pyrazol-4-yl)oxamide has a molecular weight of 350.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylphenoxy)phenyl]-N'-(5-methyl-1H-pyrazol-4-yl)oxamide is sourced from PubChem (CID 167920541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).