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

C17H20ClN3O2 — CID 119532812

IUPAC5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
SMILESCCCN(C(=O)c1cc(-c2cccc(Cl)c2)on1)C1CCNC1
InChIInChI=1S/C17H20ClN3O2/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
InChIKeyCEOQVVZPTVEMFP-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.21
Rot. Bonds5

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

5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 119532812) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID119532812
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
SMILESCCCN(C(=O)c1cc(-c2cccc(Cl)c2)on1)C1CCNC1
InChIInChI=1S/C17H20ClN3O2/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
InChIKeyCEOQVVZPTVEMFP-UHFFFAOYSA-N
XLogP3.21
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.21
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;hydrochloride
CID 119532811
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
2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 103806544
1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533221
5-(methoxymethyl)-N-piperidin-3-yl-N-propyl-1,2-oxazole-3-carboxamide
CID 66157781

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide (CID 119532812) is 5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide is CCCN(C(=O)c1cc(-c2cccc(Cl)c2)on1)C1CCNC1.
What is the InChIKey of 5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is CEOQVVZPTVEMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/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.
What are the key properties of 5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide?
5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.21, 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 is sourced from PubChem (CID 119532812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).