(3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]pyrrolidine-1-carboxamide

C14H25N5O2 — CID 99627815

IUPAC(3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]pyrrolidine-1-carboxamide
SMILESCC[C@H](NC(=O)N1CC[C@H](CN(C)C)C1)c1noc(C)n1
InChIInChI=1S/C14H25N5O2/c1-5-12(13-15-10(2)21-17-13)16-14(20)19-7-6-11(9-19)8-18(3)4/h11-12H,5-9H2,1-4H3,(H,16,20)/t11-,12+/m1/s1
InChIKeyFCNQJRMTYWTAEI-NEPJUHHUSA-N
MW295.39 g/mol
LogP1.42
Rot. Bonds5

About (3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]pyrrolidine-1-carboxamide

(3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]pyrrolidine-1-carboxamide (PubChem CID 99627815) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is (3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]pyrrolidine-1-carboxamide
PubChem CID99627815
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name(3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]pyrrolidine-1-carboxamide
SMILESCC[C@H](NC(=O)N1CC[C@H](CN(C)C)C1)c1noc(C)n1
InChIInChI=1S/C14H25N5O2/c1-5-12(13-15-10(2)21-17-13)16-14(20)19-7-6-11(9-19)8-18(3)4/h11-12H,5-9H2,1-4H3,(H,16,20)/t11-,12+/m1/s1
InChIKeyFCNQJRMTYWTAEI-NEPJUHHUSA-N
XLogP1.42
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 109398796
4-(2,2-difluoroethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1,4-diazepane-1-carboxamide
CID 75437692
ethyl 4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]piperidine-1-carboxylate
CID 75483425
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1-pyridin-4-ylpropyl)piperidine-1-carboxamide
CID 136529525
3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide
CID 95786298
(3S)-3-[(dimethylamino)methyl]-N-[(1S)-3-methyl-1-phenylbutyl]pyrrolidine-1-carboxamide
CID 99625620
1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 71856846
3-[(dimethylamino)methyl]-N-[1-(oxolan-2-yl)propan-2-yl]pyrrolidine-1-carboxamide
CID 86816948
(2S)-2-methyl-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]hexanamide
CID 100726211
1-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 75378383
1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111631282
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]pyrrolidine-1-carboxamide (CID 99627815) is (3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]pyrrolidine-1-carboxamide is CC[C@H](NC(=O)N1CC[C@H](CN(C)C)C1)c1noc(C)n1.
What is the InChIKey of (3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]pyrrolidine-1-carboxamide?
The InChIKey is FCNQJRMTYWTAEI-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-5-12(13-15-10(2)21-17-13)16-14(20)19-7-6-11(9-19)8-18(3)4/h11-12H,5-9H2,1-4H3,(H,16,20)/t11-,12+/m1/s1.
What are the key properties of (3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]pyrrolidine-1-carboxamide?
(3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]pyrrolidine-1-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 99627815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).