N-propyl-5-pyridin-3-yl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride

C16H22Cl2N4O2 — CID 119532386

IUPACN-propyl-5-pyridin-3-yl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride
SMILESCCCN(C(=O)c1cc(-c2cccnc2)on1)C1CCNC1.Cl.Cl
InChIInChI=1S/C16H20N4O2.2ClH/c1-2-8-20(13-5-7-18-11-13)16(21)14-9-15(22-19-14)12-4-3-6-17-10-12;;/h3-4,6,9-10,13,18H,2,5,7-8,11H2,1H3;2*1H
InChIKeyGUEZCUNYINOHIM-UHFFFAOYSA-N
MW373.28 g/mol
LogP2.79
Rot. Bonds5

About N-propyl-5-pyridin-3-yl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride

N-propyl-5-pyridin-3-yl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride (PubChem CID 119532386) has the molecular formula C16H22Cl2N4O2 and a molecular weight of 373.28 g/mol. Its IUPAC name is N-propyl-5-pyridin-3-yl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-propyl-5-pyridin-3-yl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride
PubChem CID119532386
Molecular FormulaC16H22Cl2N4O2
Molecular Weight373.28 g/mol
Exact Mass372.11
IUPAC NameN-propyl-5-pyridin-3-yl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride
SMILESCCCN(C(=O)c1cc(-c2cccnc2)on1)C1CCNC1.Cl.Cl
InChIInChI=1S/C16H20N4O2.2ClH/c1-2-8-20(13-5-7-18-11-13)16(21)14-9-15(22-19-14)12-4-3-6-17-10-12;;/h3-4,6,9-10,13,18H,2,5,7-8,11H2,1H3;2*1H
InChIKeyGUEZCUNYINOHIM-UHFFFAOYSA-N
XLogP2.79
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119532811
5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 119532812
N-piperidin-3-yl-N-propylpyridine-3-carboxamide
CID 63638133
N-ethyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 63299166
5-[(2,6-dichlorophenoxy)methyl]-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 119533285
N-propyl-2-pyridin-3-yl-N-pyrrolidin-3-ylpropanamide
CID 119530488
N-propyl-2-pyrazin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119530984
5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119531290
5-phenyl-N-piperidin-4-yl-N-propylpyridine-3-carboxamide
CID 119824704
4-phenoxy-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 119531895
N-propyl-N-pyrrolidin-3-ylquinoxaline-2-carboxamide
CID 103806535
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-pyridin-3-yl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride?
The IUPAC name of N-propyl-5-pyridin-3-yl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride (CID 119532386) is N-propyl-5-pyridin-3-yl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-propyl-5-pyridin-3-yl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride?
The canonical SMILES for N-propyl-5-pyridin-3-yl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride is CCCN(C(=O)c1cc(-c2cccnc2)on1)C1CCNC1.Cl.Cl.
What is the InChIKey of N-propyl-5-pyridin-3-yl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride?
The InChIKey is GUEZCUNYINOHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.2ClH/c1-2-8-20(13-5-7-18-11-13)16(21)14-9-15(22-19-14)12-4-3-6-17-10-12;;/h3-4,6,9-10,13,18H,2,5,7-8,11H2,1H3;2*1H.
What are the key properties of N-propyl-5-pyridin-3-yl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride?
N-propyl-5-pyridin-3-yl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride has a molecular weight of 373.28 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-pyridin-3-yl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119532386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).