N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-N'-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide

C17H22N4O4 — CID 95789534

IUPACN-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-N'-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide
SMILESCOCCn1ccc(NC(=O)C(=O)NC[C@H](O)c2ccccc2C)n1
InChIInChI=1S/C17H22N4O4/c1-12-5-3-4-6-13(12)14(22)11-18-16(23)17(24)19-15-7-8-21(20-15)9-10-25-2/h3-8,14,22H,9-11H2,1-2H3,(H,18,23)(H,19,20,24)/t14-/m0/s1
InChIKeyUHTMXCRKRGFAPD-AWEZNQCLSA-N
MW346.39 g/mol
LogP0.63
Rot. Bonds7

About N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-N'-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide

N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-N'-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide (PubChem CID 95789534) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-N'-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-N'-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide
PubChem CID95789534
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC NameN-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-N'-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide
SMILESCOCCn1ccc(NC(=O)C(=O)NC[C@H](O)c2ccccc2C)n1
InChIInChI=1S/C17H22N4O4/c1-12-5-3-4-6-13(12)14(22)11-18-16(23)17(24)19-15-7-8-21(20-15)9-10-25-2/h3-8,14,22H,9-11H2,1-2H3,(H,18,23)(H,19,20,24)/t14-/m0/s1
InChIKeyUHTMXCRKRGFAPD-AWEZNQCLSA-N
XLogP0.63
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-Hydroxy-2-phenylethyl)pyrazol-3-yl]-3-propan-2-ylurea
CID 16747859
1-[4-Cyano-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-propan-2-ylurea
CID 16749344
2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide
CID 124756367
2-[(2R)-2-(hydroxymethyl)-2-[(4-methylphenyl)methyl]morpholin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 129581928
2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 33217645
2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 33217648
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 45808745
1-[2-(2-Fluorophenyl)-2-hydroxyethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45828554
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 46571508
1-[1-(4-Fluorophenyl)-1-hydroxypropan-2-yl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea
CID 53598915
1-[2-(4-Fluorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-3-yl)urea
CID 53600243
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 56792911

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-N'-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-N'-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide (CID 95789534) is N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-N'-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-N'-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-N'-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide is COCCn1ccc(NC(=O)C(=O)NC[C@H](O)c2ccccc2C)n1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-N'-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide?
The InChIKey is UHTMXCRKRGFAPD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-12-5-3-4-6-13(12)14(22)11-18-16(23)17(24)19-15-7-8-21(20-15)9-10-25-2/h3-8,14,22H,9-11H2,1-2H3,(H,18,23)(H,19,20,24)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-N'-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide?
N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-N'-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide has a molecular weight of 346.39 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-N'-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide is sourced from PubChem (CID 95789534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).