(3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride

C10H19ClN4O — CID 119905236

IUPAC(3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCCCc1noc(CN2CC[C@@H](N)C2)n1.Cl
InChIInChI=1S/C10H18N4O.ClH/c1-2-3-9-12-10(15-13-9)7-14-5-4-8(11)6-14;/h8H,2-7,11H2,1H3;1H/t8-;/m1./s1
InChIKeyDTIRVDCFFXZJNJ-DDWIOCJRSA-N
MW246.74 g/mol
LogP0.98
Rot. Bonds4

About (3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride

(3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 119905236) has the molecular formula C10H19ClN4O and a molecular weight of 246.74 g/mol. Its IUPAC name is (3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID119905236
Molecular FormulaC10H19ClN4O
Molecular Weight246.74 g/mol
Exact Mass246.12
IUPAC Name(3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCCCc1noc(CN2CC[C@@H](N)C2)n1.Cl
InChIInChI=1S/C10H18N4O.ClH/c1-2-3-9-12-10(15-13-9)7-14-5-4-8(11)6-14;/h8H,2-7,11H2,1H3;1H/t8-;/m1./s1
InChIKeyDTIRVDCFFXZJNJ-DDWIOCJRSA-N
XLogP0.98
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907718
N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 119923360
(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 112733993
ethyl 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylate
CID 60722255
1-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267588
ethyl (3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 81338191
(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905454
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60722318
methyl (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 79038420
3-propyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 63257101
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylpiperidin-3-amine
CID 79993644
(3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine
CID 97028097

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride (CID 119905236) is (3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride is CCCc1noc(CN2CC[C@@H](N)C2)n1.Cl.
What is the InChIKey of (3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is DTIRVDCFFXZJNJ-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H18N4O.ClH/c1-2-3-9-12-10(15-13-9)7-14-5-4-8(11)6-14;/h8H,2-7,11H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
(3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 246.74 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119905236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).