2-[3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide

C16H25N5O3 — CID 71872472

IUPAC2-[3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide
SMILESCC(=O)N(Cc1noc(C)n1)C1CCN(CC(=O)N(C)C2CC2)C1
InChIInChI=1S/C16H25N5O3/c1-11-17-15(18-24-11)9-21(12(2)22)14-6-7-20(8-14)10-16(23)19(3)13-4-5-13/h13-14H,4-10H2,1-3H3
InChIKeySBTXMBHMTMEASR-UHFFFAOYSA-N
MW335.41 g/mol
LogP0.42
Rot. Bonds6

About 2-[3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide

2-[3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide (PubChem CID 71872472) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide
PubChem CID71872472
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name2-[3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide
SMILESCC(=O)N(Cc1noc(C)n1)C1CCN(CC(=O)N(C)C2CC2)C1
InChIInChI=1S/C16H25N5O3/c1-11-17-15(18-24-11)9-21(12(2)22)14-6-7-20(8-14)10-16(23)19(3)13-4-5-13/h13-14H,4-10H2,1-3H3
InChIKeySBTXMBHMTMEASR-UHFFFAOYSA-N
XLogP0.42
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 97074201
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide
CID 97008816
N-[1-(2-ethylsulfonylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 71872498
N-[1-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 154749222
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]acetamide
CID 71872481
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]acetamide
CID 71928330
3-[(3R)-3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-ethylpropanamide
CID 97217488
N-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 71872485
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]acetamide
CID 97008824
N-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 97074208
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetamide
CID 71928326
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(5-methyl-2-oxooxolan-3-yl)pyrrolidin-3-yl]acetamide
CID 71872474

Frequently Asked Questions

What is the IUPAC name of 2-[3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide (CID 71872472) is 2-[3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide is CC(=O)N(Cc1noc(C)n1)C1CCN(CC(=O)N(C)C2CC2)C1.
What is the InChIKey of 2-[3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide?
The InChIKey is SBTXMBHMTMEASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-11-17-15(18-24-11)9-21(12(2)22)14-6-7-20(8-14)10-16(23)19(3)13-4-5-13/h13-14H,4-10H2,1-3H3.
What are the key properties of 2-[3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide?
2-[3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide has a molecular weight of 335.41 g/mol, XLogP of 0.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 71872472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).