N'-methyl-N-(1,2-oxazol-3-yl)-N'-[(S)-phenyl(pyridin-2-yl)methyl]oxamide

C18H16N4O3 — CID 100646585

IUPACN'-methyl-N-(1,2-oxazol-3-yl)-N'-[(S)-phenyl(pyridin-2-yl)methyl]oxamide
SMILESCN(C(=O)C(=O)Nc1ccon1)[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C18H16N4O3/c1-22(18(24)17(23)20-15-10-12-25-21-15)16(13-7-3-2-4-8-13)14-9-5-6-11-19-14/h2-12,16H,1H3,(H,20,21,23)/t16-/m0/s1
InChIKeyIZMTUASWIRTDCG-INIZCTEOSA-N
MW336.35 g/mol
LogP2.26
Rot. Bonds4

About N'-methyl-N-(1,2-oxazol-3-yl)-N'-[(S)-phenyl(pyridin-2-yl)methyl]oxamide

N'-methyl-N-(1,2-oxazol-3-yl)-N'-[(S)-phenyl(pyridin-2-yl)methyl]oxamide (PubChem CID 100646585) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N'-methyl-N-(1,2-oxazol-3-yl)-N'-[(S)-phenyl(pyridin-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-methyl-N-(1,2-oxazol-3-yl)-N'-[(S)-phenyl(pyridin-2-yl)methyl]oxamide
PubChem CID100646585
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN'-methyl-N-(1,2-oxazol-3-yl)-N'-[(S)-phenyl(pyridin-2-yl)methyl]oxamide
SMILESCN(C(=O)C(=O)Nc1ccon1)[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C18H16N4O3/c1-22(18(24)17(23)20-15-10-12-25-21-15)16(13-7-3-2-4-8-13)14-9-5-6-11-19-14/h2-12,16H,1H3,(H,20,21,23)/t16-/m0/s1
InChIKeyIZMTUASWIRTDCG-INIZCTEOSA-N
XLogP2.26
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2-oxazol-3-yl)-N'-[(1R)-1-phenylethyl]oxamide
CID 41452995
3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methyl-1-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 95163358
1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea
CID 95150596
1-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 51957434
N-methyl-2-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 94822267
4-(benzenesulfonamido)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 55767365
N,2-dimethyl-6-phenyl-N-[phenyl(pyridin-2-yl)methyl]pyridine-3-carboxamide
CID 55767309
4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid
CID 65067919
4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 55767816
4-N-(1,2-oxazol-3-yl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide
CID 42628367
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 124888794
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]prop-2-enamide
CID 51956906

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(1,2-oxazol-3-yl)-N'-[(S)-phenyl(pyridin-2-yl)methyl]oxamide?
The IUPAC name of N'-methyl-N-(1,2-oxazol-3-yl)-N'-[(S)-phenyl(pyridin-2-yl)methyl]oxamide (CID 100646585) is N'-methyl-N-(1,2-oxazol-3-yl)-N'-[(S)-phenyl(pyridin-2-yl)methyl]oxamide.
What is the SMILES notation for N'-methyl-N-(1,2-oxazol-3-yl)-N'-[(S)-phenyl(pyridin-2-yl)methyl]oxamide?
The canonical SMILES for N'-methyl-N-(1,2-oxazol-3-yl)-N'-[(S)-phenyl(pyridin-2-yl)methyl]oxamide is CN(C(=O)C(=O)Nc1ccon1)[C@@H](c1ccccc1)c1ccccn1.
What is the InChIKey of N'-methyl-N-(1,2-oxazol-3-yl)-N'-[(S)-phenyl(pyridin-2-yl)methyl]oxamide?
The InChIKey is IZMTUASWIRTDCG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-22(18(24)17(23)20-15-10-12-25-21-15)16(13-7-3-2-4-8-13)14-9-5-6-11-19-14/h2-12,16H,1H3,(H,20,21,23)/t16-/m0/s1.
What are the key properties of N'-methyl-N-(1,2-oxazol-3-yl)-N'-[(S)-phenyl(pyridin-2-yl)methyl]oxamide?
N'-methyl-N-(1,2-oxazol-3-yl)-N'-[(S)-phenyl(pyridin-2-yl)methyl]oxamide has a molecular weight of 336.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(1,2-oxazol-3-yl)-N'-[(S)-phenyl(pyridin-2-yl)methyl]oxamide is sourced from PubChem (CID 100646585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).