(3R)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-3-amine

C17H29N3O3 — CID 129490392

IUPAC(3R)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-3-amine
SMILESCc1cnc(CN(C)[C@@H]2CCN(CCOC[C@H]3CCCO3)C2)o1
InChIInChI=1S/C17H29N3O3/c1-14-10-18-17(23-14)12-19(2)15-5-6-20(11-15)7-9-21-13-16-4-3-8-22-16/h10,15-16H,3-9,11-13H2,1-2H3/t15-,16-/m1/s1
InChIKeyOYUIQXOPIZMOET-HZPDHXFCSA-N
MW323.44 g/mol
LogP1.68
Rot. Bonds8

About (3R)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-3-amine

(3R)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-3-amine (PubChem CID 129490392) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is (3R)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-3-amine
PubChem CID129490392
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name(3R)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-3-amine
SMILESCc1cnc(CN(C)[C@@H]2CCN(CCOC[C@H]3CCCO3)C2)o1
InChIInChI=1S/C17H29N3O3/c1-14-10-18-17(23-14)12-19(2)15-5-6-20(11-15)7-9-21-13-16-4-3-8-22-16/h10,15-16H,3-9,11-13H2,1-2H3/t15-,16-/m1/s1
InChIKeyOYUIQXOPIZMOET-HZPDHXFCSA-N
XLogP1.68
TPSA50.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97008152
1-[2-[(3S)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile
CID 97008199
(3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 97217447
(2R)-2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile
CID 97008172
2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 154749212
2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 97008154
(3S)-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 98768010
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
2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 118745532
10,13-bis[2-(oxolan-2-ylmethoxy)ethyl]-1,4,7-trioxa-10,13-diazacyclopentadecane
CID 14910693
2-[(3S)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 97008159
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine
CID 71928239

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-3-amine (CID 129490392) is (3R)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-3-amine is Cc1cnc(CN(C)[C@@H]2CCN(CCOC[C@H]3CCCO3)C2)o1.
What is the InChIKey of (3R)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-3-amine?
The InChIKey is OYUIQXOPIZMOET-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-14-10-18-17(23-14)12-19(2)15-5-6-20(11-15)7-9-21-13-16-4-3-8-22-16/h10,15-16H,3-9,11-13H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of (3R)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-3-amine?
(3R)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-3-amine has a molecular weight of 323.44 g/mol, XLogP of 1.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 129490392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).