N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1,2-oxazole-3-carboxamide

C9H13N3O3 — CID 76930117

IUPACN-(4-hydroxypyrrolidin-3-yl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(C(=O)c1ccon1)C1CNCC1O
InChIInChI=1S/C9H13N3O3/c1-12(7-4-10-5-8(7)13)9(14)6-2-3-15-11-6/h2-3,7-8,10,13H,4-5H2,1H3
InChIKeyODQATYJXIRRVAA-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.92
Rot. Bonds2

About N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1,2-oxazole-3-carboxamide

N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 76930117) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxypyrrolidin-3-yl)-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID76930117
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(4-hydroxypyrrolidin-3-yl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(C(=O)c1ccon1)C1CNCC1O
InChIInChI=1S/C9H13N3O3/c1-12(7-4-10-5-8(7)13)9(14)6-2-3-15-11-6/h2-3,7-8,10,13H,4-5H2,1H3
InChIKeyODQATYJXIRRVAA-UHFFFAOYSA-N
XLogP-0.92
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 102638059
2-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylfuran-3-carboxamide
CID 106688427
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,2-dimethyl-1,3-thiazole-4-carboxamide
CID 65199177
N-methyl-N-phenyl-1,2-oxazole-3-carboxamide
CID 91235694
4-chloro-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide
CID 114088799
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-3-ylacetamide
CID 62691246
N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1H-pyrrole-2-carboxamide
CID 74884160
N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106607345
N-piperidin-3-yl-N-propyl-1,2-oxazole-3-carboxamide
CID 63638830
2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide
CID 63046152
N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,2,3-trimethylbenzamide
CID 114088803
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 43596000

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1,2-oxazole-3-carboxamide (CID 76930117) is N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1,2-oxazole-3-carboxamide is CN(C(=O)c1ccon1)C1CNCC1O.
What is the InChIKey of N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is ODQATYJXIRRVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-12(7-4-10-5-8(7)13)9(14)6-2-3-15-11-6/h2-3,7-8,10,13H,4-5H2,1H3.
What are the key properties of N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1,2-oxazole-3-carboxamide?
N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 76930117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).