N'-(5-methyl-1,2-oxazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide

C11H15N3O4 — CID 41452901

IUPACN'-(5-methyl-1,2-oxazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESCc1cc(NC(=O)C(=O)NC[C@H]2CCCO2)no1
InChIInChI=1S/C11H15N3O4/c1-7-5-9(14-18-7)13-11(16)10(15)12-6-8-3-2-4-17-8/h5,8H,2-4,6H2,1H3,(H,12,15)(H,13,14,16)/t8-/m1/s1
InChIKeySGVCKXPOTUMIKK-MRVPVSSYSA-N
MW253.26 g/mol
LogP0.22
Rot. Bonds3

About N'-(5-methyl-1,2-oxazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide

N'-(5-methyl-1,2-oxazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide (PubChem CID 41452901) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N'-(5-methyl-1,2-oxazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(5-methyl-1,2-oxazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
PubChem CID41452901
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN'-(5-methyl-1,2-oxazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESCc1cc(NC(=O)C(=O)NC[C@H]2CCCO2)no1
InChIInChI=1S/C11H15N3O4/c1-7-5-9(14-18-7)13-11(16)10(15)12-6-8-3-2-4-17-8/h5,8H,2-4,6H2,1H3,(H,12,15)(H,13,14,16)/t8-/m1/s1
InChIKeySGVCKXPOTUMIKK-MRVPVSSYSA-N
XLogP0.22
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.22
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-[[(2S)-oxolan-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 2291222
1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(oxolan-2-yl)ethyl]urea
CID 51076414
1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[(2S)-oxolan-2-yl]ethyl]urea
CID 32532589
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083250
N-(5-methyl-1,2-oxazol-3-yl)-N'-[[(2R)-oxolan-2-yl]methyl]-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]butanediamide
CID 7397522
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365830
2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365986
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide
CID 110605031
N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7256111
N-[[(2R)-oxolan-2-yl]methyl]-N'-pyridin-4-yloxamide
CID 41453086
N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 2037808

Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-1,2-oxazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The IUPAC name of N'-(5-methyl-1,2-oxazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide (CID 41452901) is N'-(5-methyl-1,2-oxazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide.
What is the SMILES notation for N'-(5-methyl-1,2-oxazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The canonical SMILES for N'-(5-methyl-1,2-oxazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide is Cc1cc(NC(=O)C(=O)NC[C@H]2CCCO2)no1.
What is the InChIKey of N'-(5-methyl-1,2-oxazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The InChIKey is SGVCKXPOTUMIKK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7-5-9(14-18-7)13-11(16)10(15)12-6-8-3-2-4-17-8/h5,8H,2-4,6H2,1H3,(H,12,15)(H,13,14,16)/t8-/m1/s1.
What are the key properties of N'-(5-methyl-1,2-oxazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
N'-(5-methyl-1,2-oxazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide has a molecular weight of 253.26 g/mol, XLogP of 0.22, 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-[[(2R)-oxolan-2-yl]methyl]oxamide is sourced from PubChem (CID 41452901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).