N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide

C16H18N4O3 — CID 51080556

IUPACN'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2ccccc2N2CCCC2)no1
InChIInChI=1S/C16H18N4O3/c1-11-10-14(19-23-11)18-16(22)15(21)17-12-6-2-3-7-13(12)20-8-4-5-9-20/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,17,21)(H,18,19,22)
InChIKeyPFNYFPUXMGWMGA-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.16
Rot. Bonds3

About N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide

N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide (PubChem CID 51080556) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide
PubChem CID51080556
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2ccccc2N2CCCC2)no1
InChIInChI=1S/C16H18N4O3/c1-11-10-14(19-23-11)18-16(22)15(21)17-12-6-2-3-7-13(12)20-8-4-5-9-20/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,17,21)(H,18,19,22)
InChIKeyPFNYFPUXMGWMGA-UHFFFAOYSA-N
XLogP2.16
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108956543
N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108514273
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 55343273
N-(2-carbamoylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 48528626
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2530022
N-(5-methyl-1,2-oxazol-3-yl)-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide
CID 109200634
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197
N-(5-methyl-1,2-oxazol-3-yl)-4-(2-morpholin-4-ylanilino)pyridine-2-carboxamide
CID 109222411
1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
CID 2814230
N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-phenylacetamide
CID 42926471
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9432818

Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide?
The IUPAC name of N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide (CID 51080556) is N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide.
What is the SMILES notation for N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide?
The canonical SMILES for N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide is Cc1cc(NC(=O)C(=O)Nc2ccccc2N2CCCC2)no1.
What is the InChIKey of N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide?
The InChIKey is PFNYFPUXMGWMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11-10-14(19-23-11)18-16(22)15(21)17-12-6-2-3-7-13(12)20-8-4-5-9-20/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,17,21)(H,18,19,22).
What are the key properties of N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide?
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide has a molecular weight of 314.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide is sourced from PubChem (CID 51080556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).