2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

C16H23N5O3 — CID 97059650

IUPAC2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCCc1nc([C@@H]2CN(CC(=O)N(C)Cc3ccco3)CCO2)n[nH]1
InChIInChI=1S/C16H23N5O3/c1-3-14-17-16(19-18-14)13-10-21(6-8-24-13)11-15(22)20(2)9-12-5-4-7-23-12/h4-5,7,13H,3,6,8-11H2,1-2H3,(H,17,18,19)/t13-/m0/s1
InChIKeyORHSAJMHJHZOPT-ZDUSSCGKSA-N
MW333.39 g/mol
LogP0.99
Rot. Bonds6

About 2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 97059650) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID97059650
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCCc1nc([C@@H]2CN(CC(=O)N(C)Cc3ccco3)CCO2)n[nH]1
InChIInChI=1S/C16H23N5O3/c1-3-14-17-16(19-18-14)13-10-21(6-8-24-13)11-15(22)20(2)9-12-5-4-7-23-12/h4-5,7,13H,3,6,8-11H2,1-2H3,(H,17,18,19)/t13-/m0/s1
InChIKeyORHSAJMHJHZOPT-ZDUSSCGKSA-N
XLogP0.99
TPSA87.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(furan-2-ylmethyl)-N-methyl-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide
CID 98774993
methyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]morpholine-2-carboxylate
CID 78927090
1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 97059653
N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 96514191
2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 154749233
N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561
2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 71872781
N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760400
2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 102984585
2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 97059660
[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79669524
2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78787266

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (CID 97059650) is 2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide is CCc1nc([C@@H]2CN(CC(=O)N(C)Cc3ccco3)CCO2)n[nH]1.
What is the InChIKey of 2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is ORHSAJMHJHZOPT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-3-14-17-16(19-18-14)13-10-21(6-8-24-13)11-15(22)20(2)9-12-5-4-7-23-12/h4-5,7,13H,3,6,8-11H2,1-2H3,(H,17,18,19)/t13-/m0/s1.
What are the key properties of 2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 333.39 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 97059650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).