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

C12H19N3O2 — CID 106371116

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide
SMILESCCc1cnc(CNC(=O)C2CNCC2C)o1
InChIInChI=1S/C12H19N3O2/c1-3-9-5-14-11(17-9)7-15-12(16)10-6-13-4-8(10)2/h5,8,10,13H,3-4,6-7H2,1-2H3,(H,15,16)
InChIKeyPUFVZBDVENESTA-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.71
Rot. Bonds4

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 106371116) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID106371116
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide
SMILESCCc1cnc(CNC(=O)C2CNCC2C)o1
InChIInChI=1S/C12H19N3O2/c1-3-9-5-14-11(17-9)7-15-12(16)10-6-13-4-8(10)2/h5,8,10,13H,3-4,6-7H2,1-2H3,(H,15,16)
InChIKeyPUFVZBDVENESTA-UHFFFAOYSA-N
XLogP0.71
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 103822240
cis-(1S,2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106370141
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106370130
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide
CID 106371216
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 103822331
4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 63714175
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]piperidine-2-carboxamide
CID 106370890
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 106371098
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 106371148
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide
CID 114180212
1-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylcyclohexane-1-carboxamide
CID 106370912
3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 106374244

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide (CID 106371116) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide is CCc1cnc(CNC(=O)C2CNCC2C)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is PUFVZBDVENESTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-9-5-14-11(17-9)7-15-12(16)10-6-13-4-8(10)2/h5,8,10,13H,3-4,6-7H2,1-2H3,(H,15,16).
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106371116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).