N-(2-ethoxyethyl)-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide

C14H24N4O4 — CID 128970435

IUPACN-(2-ethoxyethyl)-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide
SMILESCCOCCNC(=O)CN1C[C@H](OC)C[C@@H]1c1nc(C)no1
InChIInChI=1S/C14H24N4O4/c1-4-21-6-5-15-13(19)9-18-8-11(20-3)7-12(18)14-16-10(2)17-22-14/h11-12H,4-9H2,1-3H3,(H,15,19)/t11-,12-/m1/s1
InChIKeyDYJMBHWPMVAVEP-VXGBXAGGSA-N
MW312.37 g/mol
LogP0.29
Rot. Bonds8

About N-(2-ethoxyethyl)-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide

N-(2-ethoxyethyl)-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide (PubChem CID 128970435) has the molecular formula C14H24N4O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide
PubChem CID128970435
Molecular FormulaC14H24N4O4
Molecular Weight312.37 g/mol
Exact Mass312.18
IUPAC NameN-(2-ethoxyethyl)-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide
SMILESCCOCCNC(=O)CN1C[C@H](OC)C[C@@H]1c1nc(C)no1
InChIInChI=1S/C14H24N4O4/c1-4-21-6-5-15-13(19)9-18-8-11(20-3)7-12(18)14-16-10(2)17-22-14/h11-12H,4-9H2,1-3H3,(H,15,19)/t11-,12-/m1/s1
InChIKeyDYJMBHWPMVAVEP-VXGBXAGGSA-N
XLogP0.29
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclobutylmethyl)-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide
CID 128993547
N-benzyl-2-[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide
CID 128997406
2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 128965645
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide
CID 129330828
5-[(2R,4R)-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128966068
[4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 128966490
5-cyclopropyl-3-[[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128965007
5-[(2R,4R)-4-methoxy-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128966405
5-[(2R,4R)-4-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128968587
(2S)-1-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-phenoxypropan-2-ol
CID 129336869
5-[(2R,4R)-4-methoxy-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128993270
5-[(2R,4S)-4-methoxy-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129001016

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-ethoxyethyl)-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide (CID 128970435) is N-(2-ethoxyethyl)-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethoxyethyl)-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-ethoxyethyl)-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide is CCOCCNC(=O)CN1C[C@H](OC)C[C@@H]1c1nc(C)no1.
What is the InChIKey of N-(2-ethoxyethyl)-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is DYJMBHWPMVAVEP-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H24N4O4/c1-4-21-6-5-15-13(19)9-18-8-11(20-3)7-12(18)14-16-10(2)17-22-14/h11-12H,4-9H2,1-3H3,(H,15,19)/t11-,12-/m1/s1.
What are the key properties of N-(2-ethoxyethyl)-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide?
N-(2-ethoxyethyl)-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 312.37 g/mol, XLogP of 0.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 128970435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).