N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-3-carboxamide

C12H19N3O2 — CID 55150983

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-3-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)C1CCNC1
InChIInChI=1S/C12H19N3O2/c1-8-11(9(2)17-14-8)7-15(3)12(16)10-4-5-13-6-10/h10,13H,4-7H2,1-3H3
InChIKeyBGINJSOPUPDVOZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.86
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-3-carboxamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 55150983) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-3-carboxamide
PubChem CID55150983
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-3-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)C1CCNC1
InChIInChI=1S/C12H19N3O2/c1-8-11(9(2)17-14-8)7-15(3)12(16)10-4-5-13-6-10/h10,13H,4-7H2,1-3H3
InChIKeyBGINJSOPUPDVOZ-UHFFFAOYSA-N
XLogP0.86
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 1245261
CID 1245261
CID 5149864
CID 5149864
CID 46942636
CID 46942636
CID 46943757
CID 46943757
CID 1245980
CID 1245980
CID 2225560
CID 2225560
CID 2772401
CID 2772401
CID 119030852
CID 119030852
CID 23006353
CID 23006353
CID 42933684
CID 42933684
CID 1245014
CID 1245014
CID 2798231
CID 2798231

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-3-carboxamide (CID 55150983) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-3-carboxamide is Cc1noc(C)c1CN(C)C(=O)C1CCNC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is BGINJSOPUPDVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-11(9(2)17-14-8)7-15(3)12(16)10-4-5-13-6-10/h10,13H,4-7H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-3-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55150983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).