(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine

C16H25N5O2 — CID 96512160

IUPAC(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCCc1nc(CN(C)[C@@H]2CCN(Cc3nc(C)c(C)o3)C2)no1
InChIInChI=1S/C16H25N5O2/c1-5-15-18-14(19-23-15)9-20(4)13-6-7-21(8-13)10-16-17-11(2)12(3)22-16/h13H,5-10H2,1-4H3/t13-/m1/s1
InChIKeyQLSMKNCDZIMLFR-CYBMUJFWSA-N
MW319.41 g/mol
LogP1.94
Rot. Bonds6

About (3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine

(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 96512160) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is (3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID96512160
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCCc1nc(CN(C)[C@@H]2CCN(Cc3nc(C)c(C)o3)C2)no1
InChIInChI=1S/C16H25N5O2/c1-5-15-18-14(19-23-15)9-20(4)13-6-7-21(8-13)10-16-17-11(2)12(3)22-16/h13H,5-10H2,1-4H3/t13-/m1/s1
InChIKeyQLSMKNCDZIMLFR-CYBMUJFWSA-N
XLogP1.94
TPSA71.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine with MolForge

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Related Compounds

(3S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 97217433
(3S)-1-(1,3-benzoxazol-2-ylmethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 96512131
1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 75373793
(3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 95614088
N-[2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 96512147
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine
CID 71872697
(3S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine
CID 97217440
1-[2-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile
CID 71872707
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 75373783
(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
(2S)-1-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95780183
5-[(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129491666

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine (CID 96512160) is (3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine is CCc1nc(CN(C)[C@@H]2CCN(Cc3nc(C)c(C)o3)C2)no1.
What is the InChIKey of (3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is QLSMKNCDZIMLFR-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-5-15-18-14(19-23-15)9-20(4)13-6-7-21(8-13)10-16-17-11(2)12(3)22-16/h13H,5-10H2,1-4H3/t13-/m1/s1.
What are the key properties of (3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 319.41 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 96512160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).