N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide

C14H19N5O3 — CID 129484094

IUPACN-(furan-2-ylmethyl)-2-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CN1CC[C@](O)(c2cn[nH]n2)C1
InChIInChI=1S/C14H19N5O3/c1-18(8-11-3-2-6-22-11)13(20)9-19-5-4-14(21,10-19)12-7-15-17-16-12/h2-3,6-7,21H,4-5,8-10H2,1H3,(H,15,16,17)/t14-/m1/s1
InChIKeyMEEIAXVCOBCNBR-CQSZACIVSA-N
MW305.34 g/mol
LogP-0.05
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide

N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide (PubChem CID 129484094) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide
PubChem CID129484094
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC NameN-(furan-2-ylmethyl)-2-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CN1CC[C@](O)(c2cn[nH]n2)C1
InChIInChI=1S/C14H19N5O3/c1-18(8-11-3-2-6-22-11)13(20)9-19-5-4-14(21,10-19)12-7-15-17-16-12/h2-3,6-7,21H,4-5,8-10H2,1H3,(H,15,16,17)/t14-/m1/s1
InChIKeyMEEIAXVCOBCNBR-CQSZACIVSA-N
XLogP-0.05
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide
CID 115873726
2-(2,4-dioxo-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-7-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 71872400
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43162522
N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760400
N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 96514191
2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78787266
N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561
N-cyclopentyl-N-cyclopropyl-2-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]acetamide
CID 128980324
2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 102984585
N-(furan-2-ylmethyl)-N-methyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
CID 47023476
2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 97059650
N-(furan-2-ylmethyl)-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 78792851

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide (CID 129484094) is N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide is CN(Cc1ccco1)C(=O)CN1CC[C@](O)(c2cn[nH]n2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is MEEIAXVCOBCNBR-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-18(8-11-3-2-6-22-11)13(20)9-19-5-4-14(21,10-19)12-7-15-17-16-12/h2-3,6-7,21H,4-5,8-10H2,1H3,(H,15,16,17)/t14-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide?
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 305.34 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 129484094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).