3-(5-phenyl-1,3-oxazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride

C20H29Cl2N3O2 — CID 119823979

IUPAC3-(5-phenyl-1,3-oxazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride
SMILESCCCN(C(=O)CCc1ncc(-c2ccccc2)o1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C20H27N3O2.2ClH/c1-2-14-23(17-10-12-21-13-11-17)20(24)9-8-19-22-15-18(25-19)16-6-4-3-5-7-16;;/h3-7,15,17,21H,2,8-14H2,1H3;2*1H
InChIKeyXPRTYRHTMLLHHN-UHFFFAOYSA-N
MW414.38 g/mol
LogP4.11
Rot. Bonds7

About 3-(5-phenyl-1,3-oxazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride

3-(5-phenyl-1,3-oxazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride (PubChem CID 119823979) has the molecular formula C20H29Cl2N3O2 and a molecular weight of 414.38 g/mol. Its IUPAC name is 3-(5-phenyl-1,3-oxazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-(5-phenyl-1,3-oxazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride
PubChem CID119823979
Molecular FormulaC20H29Cl2N3O2
Molecular Weight414.38 g/mol
Exact Mass413.16
IUPAC Name3-(5-phenyl-1,3-oxazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride
SMILESCCCN(C(=O)CCc1ncc(-c2ccccc2)o1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C20H27N3O2.2ClH/c1-2-14-23(17-10-12-21-13-11-17)20(24)9-8-19-22-15-18(25-19)16-6-4-3-5-7-16;;/h3-7,15,17,21H,2,8-14H2,1H3;2*1H
InChIKeyXPRTYRHTMLLHHN-UHFFFAOYSA-N
XLogP4.11
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 126773837
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119551279
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531213
N-cyclopropyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 37483995
3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide
CID 119442297
3-(2-phenylphenoxy)-N-piperidin-4-yl-N-propylpropanamide
CID 119825238
3-[5-(2-fluorophenyl)furan-2-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 126779638
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119550447
3-naphthalen-2-yl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825837
N-piperidin-4-yl-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119823978
N-[(4-ethylphenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 134011097
3-(5-chlorothiophen-2-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824116

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3-oxazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride?
The IUPAC name of 3-(5-phenyl-1,3-oxazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride (CID 119823979) is 3-(5-phenyl-1,3-oxazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride.
What is the SMILES notation for 3-(5-phenyl-1,3-oxazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride?
The canonical SMILES for 3-(5-phenyl-1,3-oxazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride is CCCN(C(=O)CCc1ncc(-c2ccccc2)o1)C1CCNCC1.Cl.Cl.
What is the InChIKey of 3-(5-phenyl-1,3-oxazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride?
The InChIKey is XPRTYRHTMLLHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2.2ClH/c1-2-14-23(17-10-12-21-13-11-17)20(24)9-8-19-22-15-18(25-19)16-6-4-3-5-7-16;;/h3-7,15,17,21H,2,8-14H2,1H3;2*1H.
What are the key properties of 3-(5-phenyl-1,3-oxazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride?
3-(5-phenyl-1,3-oxazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride has a molecular weight of 414.38 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3-oxazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride is sourced from PubChem (CID 119823979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).