N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride

C17H23Cl2N3O2 — CID 119551279

IUPACN-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride
SMILESCN(C(=O)CCc1ncc(-c2ccccc2)o1)C1CCNC1.Cl.Cl
InChIInChI=1S/C17H21N3O2.2ClH/c1-20(14-9-10-18-11-14)17(21)8-7-16-19-12-15(22-16)13-5-3-2-4-6-13;;/h2-6,12,14,18H,7-11H2,1H3;2*1H
InChIKeyWVGPZUALKGHENF-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.94
Rot. Bonds5

About N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride

N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride (PubChem CID 119551279) has the molecular formula C17H23Cl2N3O2 and a molecular weight of 372.30 g/mol. Its IUPAC name is N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride
PubChem CID119551279
Molecular FormulaC17H23Cl2N3O2
Molecular Weight372.30 g/mol
Exact Mass371.12
IUPAC NameN-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride
SMILESCN(C(=O)CCc1ncc(-c2ccccc2)o1)C1CCNC1.Cl.Cl
InChIInChI=1S/C17H21N3O2.2ClH/c1-20(14-9-10-18-11-14)17(21)8-7-16-19-12-15(22-16)13-5-3-2-4-6-13;;/h2-6,12,14,18H,7-11H2,1H3;2*1H
InChIKeyWVGPZUALKGHENF-UHFFFAOYSA-N
XLogP2.94
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119550447
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CID 119823979
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119551955
3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide
CID 119442297
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 126773837
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride
CID 119442139
N-cyclopropyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 37483995
N-[(3R)-1,1-dioxothiolan-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 51929356
N-[(4-ethylphenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 134011097
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531213
N-[(4-fluorophenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51075029
4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
The IUPAC name of N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride (CID 119551279) is N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride.
What is the SMILES notation for N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
The canonical SMILES for N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride is CN(C(=O)CCc1ncc(-c2ccccc2)o1)C1CCNC1.Cl.Cl.
What is the InChIKey of N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
The InChIKey is WVGPZUALKGHENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.2ClH/c1-20(14-9-10-18-11-14)17(21)8-7-16-19-12-15(22-16)13-5-3-2-4-6-13;;/h2-6,12,14,18H,7-11H2,1H3;2*1H.
What are the key properties of N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride has a molecular weight of 372.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride is sourced from PubChem (CID 119551279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).