3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

C15H27ClN4O2 — CID 119531240

IUPAC3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCCCN(C(=O)CCc1nc(C(C)C)no1)C1CCNC1.Cl
InChIInChI=1S/C15H26N4O2.ClH/c1-4-9-19(12-7-8-16-10-12)14(20)6-5-13-17-15(11(2)3)18-21-13;/h11-12,16H,4-10H2,1-3H3;1H
InChIKeyNUUDAMHMFYEJEZ-UHFFFAOYSA-N
MW330.86 g/mol
LogP2.15
Rot. Bonds7

About 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119531240) has the molecular formula C15H27ClN4O2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119531240
Molecular FormulaC15H27ClN4O2
Molecular Weight330.86 g/mol
Exact Mass330.18
IUPAC Name3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCCCN(C(=O)CCc1nc(C(C)C)no1)C1CCNC1.Cl
InChIInChI=1S/C15H26N4O2.ClH/c1-4-9-19(12-7-8-16-10-12)14(20)6-5-13-17-15(11(2)3)18-21-13;/h11-12,16H,4-10H2,1-3H3;1H
InChIKeyNUUDAMHMFYEJEZ-UHFFFAOYSA-N
XLogP2.15
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-piperidin-4-yl-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119823978
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825839
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119535454
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide
CID 119825840
2,4-dimethyl-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-5-carboxamide;hydrochloride
CID 119532322
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propylazetidin-3-amine
CID 66214893
3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530419
3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119532209
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 126773837
3,4-dimethyl-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119533162
2,4-dimethyl-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide
CID 124574512

Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119531240) is 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is CCCN(C(=O)CCc1nc(C(C)C)no1)C1CCNC1.Cl.
What is the InChIKey of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is NUUDAMHMFYEJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2.ClH/c1-4-9-19(12-7-8-16-10-12)14(20)6-5-13-17-15(11(2)3)18-21-13;/h11-12,16H,4-10H2,1-3H3;1H.
What are the key properties of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119531240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).