2-(furan-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide

C10H12N4O3 — CID 154858356

IUPAC2-(furan-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESO=C(Cc1ccco1)NCCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H12N4O3/c15-9(6-7-2-1-5-17-7)11-4-3-8-12-10(16)14-13-8/h1-2,5H,3-4,6H2,(H,11,15)(H2,12,13,14,16)
InChIKeyALOHUUPEZFCJBL-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.41
Rot. Bonds5

About 2-(furan-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide

2-(furan-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 154858356) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID154858356
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name2-(furan-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESO=C(Cc1ccco1)NCCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H12N4O3/c15-9(6-7-2-1-5-17-7)11-4-3-8-12-10(16)14-13-8/h1-2,5H,3-4,6H2,(H,11,15)(H2,12,13,14,16)
InChIKeyALOHUUPEZFCJBL-UHFFFAOYSA-N
XLogP-0.41
TPSA103.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(furan-2-yl)acetamide
CID 110484557
N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)acetamide
CID 110690667
2-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110484612
2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]acetamide
CID 137025275
2-bromo-N-[2-(furan-2-yl)ethyl]acetamide
CID 63679731
N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-2-(2,2,2-trifluoro-1-phenylethoxy)acetamide
CID 136664838
N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)propanamide
CID 155949549
2-amino-N-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]acetamide
CID 60847606
2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide
CID 166403893
N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-(furan-2-yl)acetamide
CID 97007740
2-(furan-2-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
CID 112536394
2-(furan-2-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110484644

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(furan-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide (CID 154858356) is 2-(furan-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(furan-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide is O=C(Cc1ccco1)NCCc1n[nH]c(=O)[nH]1.
What is the InChIKey of 2-(furan-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is ALOHUUPEZFCJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c15-9(6-7-2-1-5-17-7)11-4-3-8-12-10(16)14-13-8/h1-2,5H,3-4,6H2,(H,11,15)(H2,12,13,14,16).
What are the key properties of 2-(furan-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(furan-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 236.23 g/mol, XLogP of -0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 154858356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).