2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide

C13H23N5O3 — CID 124680094

IUPAC2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
SMILESCOCc1nc(CNC(=O)CN2CC[C@H](N(C)C)C2)no1
InChIInChI=1S/C13H23N5O3/c1-17(2)10-4-5-18(7-10)8-12(19)14-6-11-15-13(9-20-3)21-16-11/h10H,4-9H2,1-3H3,(H,14,19)/t10-/m0/s1
InChIKeyASZZXCORXHWUPB-JTQLQIEISA-N
MW297.36 g/mol
LogP-0.53
Rot. Bonds7

About 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide

2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide (PubChem CID 124680094) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
PubChem CID124680094
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC Name2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
SMILESCOCc1nc(CNC(=O)CN2CC[C@H](N(C)C)C2)no1
InChIInChI=1S/C13H23N5O3/c1-17(2)10-4-5-18(7-10)8-12(19)14-6-11-15-13(9-20-3)21-16-11/h10H,4-9H2,1-3H3,(H,14,19)/t10-/m0/s1
InChIKeyASZZXCORXHWUPB-JTQLQIEISA-N
XLogP-0.53
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The IUPAC name of 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide (CID 124680094) is 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide.
What is the SMILES notation for 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The canonical SMILES for 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide is COCc1nc(CNC(=O)CN2CC[C@H](N(C)C)C2)no1.
What is the InChIKey of 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The InChIKey is ASZZXCORXHWUPB-JTQLQIEISA-N. The full InChI is InChI=1S/C13H23N5O3/c1-17(2)10-4-5-18(7-10)8-12(19)14-6-11-15-13(9-20-3)21-16-11/h10H,4-9H2,1-3H3,(H,14,19)/t10-/m0/s1.
What are the key properties of 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide has a molecular weight of 297.36 g/mol, XLogP of -0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide is sourced from PubChem (CID 124680094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).