5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride

C17H21Cl2N3O2 — CID 119532811

IUPAC5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cc(-c2cccc(Cl)c2)on1)C1CCNC1.Cl
InChIInChI=1S/C17H20ClN3O2.ClH/c1-2-8-21(14-6-7-19-11-14)17(22)15-10-16(23-20-15)12-4-3-5-13(18)9-12;/h3-5,9-10,14,19H,2,6-8,11H2,1H3;1H
InChIKeyIEULKYJRLZKDSN-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.63
Rot. Bonds5

About 5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride

5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 119532811) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID119532811
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC Name5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cc(-c2cccc(Cl)c2)on1)C1CCNC1.Cl
InChIInChI=1S/C17H20ClN3O2.ClH/c1-2-8-21(14-6-7-19-11-14)17(22)15-10-16(23-20-15)12-4-3-5-13(18)9-12;/h3-5,9-10,14,19H,2,6-8,11H2,1H3;1H
InChIKeyIEULKYJRLZKDSN-UHFFFAOYSA-N
XLogP3.63
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 119532812
N-propyl-5-pyridin-3-yl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 119532386
2-(3-chlorophenyl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119824421
5-[(2,6-dichlorophenoxy)methyl]-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 119533285
1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119532202
3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea
CID 63300801
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-cyclopropylamino]propanoic acid
CID 120519348
N-propyl-N-pyrrolidin-3-ylquinoxaline-2-carboxamide
CID 103806535
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
5-(methoxymethyl)-N-piperidin-4-yl-N-propyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119824672
2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 103806544

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of 5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride (CID 119532811) is 5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride is CCCN(C(=O)c1cc(-c2cccc(Cl)c2)on1)C1CCNC1.Cl.
What is the InChIKey of 5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is IEULKYJRLZKDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2.ClH/c1-2-8-21(14-6-7-19-11-14)17(22)15-10-16(23-20-15)12-4-3-5-13(18)9-12;/h3-5,9-10,14,19H,2,6-8,11H2,1H3;1H.
What are the key properties of 5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride?
5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 370.28 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119532811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).