N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

C13H21N3O2 — CID 167952517

IUPACN-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCc1c(NC(=O)N2CCCC2)noc1C(C)(C)C
InChIInChI=1S/C13H21N3O2/c1-9-10(13(2,3)4)18-15-11(9)14-12(17)16-7-5-6-8-16/h5-8H2,1-4H3,(H,14,15,17)
InChIKeyQWNIZPFHNZQCOA-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.91
Rot. Bonds1

About N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 167952517) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID167952517
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCc1c(NC(=O)N2CCCC2)noc1C(C)(C)C
InChIInChI=1S/C13H21N3O2/c1-9-10(13(2,3)4)18-15-11(9)14-12(17)16-7-5-6-8-16/h5-8H2,1-4H3,(H,14,15,17)
InChIKeyQWNIZPFHNZQCOA-UHFFFAOYSA-N
XLogP2.91
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3,3-dimethylcyclohexane-1-carboxamide
CID 167912655
N-(2-tert-butylfuro[2,3-b]pyridin-3-yl)azocane-1-carboxamide
CID 143374825
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide
CID 54585837
2,2-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958534
N-(4-methyl-1,3-oxazol-2-yl)azepane-1-carboxamide
CID 115671093
4-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]piperazine-1-carboxylic acid
CID 68780628
N-(4-methyl-1,3-oxazol-2-yl)piperidine-1-carboxamide
CID 116658004
2-(piperidine-1-carbonylamino)pyridine-3-carboxylic acid
CID 79155083
N-[4-(azepane-1-carbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 71881165
N-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxamide
CID 104620563
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide
CID 53013614
N-(1-methyl-4-sulfamoylpyrazol-3-yl)piperidine-1-carboxamide
CID 79155036

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (CID 167952517) is N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is Cc1c(NC(=O)N2CCCC2)noc1C(C)(C)C.
What is the InChIKey of N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is QWNIZPFHNZQCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-10(13(2,3)4)18-15-11(9)14-12(17)16-7-5-6-8-16/h5-8H2,1-4H3,(H,14,15,17).
What are the key properties of N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 167952517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).