N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)propanamide

C16H16N4O3 — CID 154770900

IUPACN-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2n[nH]c(-c3ccco3)n2)cc1
InChIInChI=1S/C16H16N4O3/c1-22-12-7-4-11(5-8-12)6-9-14(21)17-16-18-15(19-20-16)13-3-2-10-23-13/h2-5,7-8,10H,6,9H2,1H3,(H2,17,18,19,20,21)
InChIKeyYHWJESQAXGWKBL-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.64
Rot. Bonds6

About N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)propanamide

N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)propanamide (PubChem CID 154770900) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)propanamide
PubChem CID154770900
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2n[nH]c(-c3ccco3)n2)cc1
InChIInChI=1S/C16H16N4O3/c1-22-12-7-4-11(5-8-12)6-9-14(21)17-16-18-15(19-20-16)13-3-2-10-23-13/h2-5,7-8,10H,6,9H2,1H3,(H2,17,18,19,20,21)
InChIKeyYHWJESQAXGWKBL-UHFFFAOYSA-N
XLogP2.64
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpropanamide
CID 154770904
N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9246371
(3S)-N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-3-pyrrol-1-ylpropanamide
CID 124879707
N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42687652
N-ethyl-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
CID 131024964
3-(4-methoxyphenyl)-N-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide
CID 71682528
N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 51188549
N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)propanamide
CID 136614908
3-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 56762316
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 56827435
3-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)propanamide
CID 18152521
3-(4-methoxyphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 78927671

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)propanamide (CID 154770900) is N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2n[nH]c(-c3ccco3)n2)cc1.
What is the InChIKey of N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is YHWJESQAXGWKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-22-12-7-4-11(5-8-12)6-9-14(21)17-16-18-15(19-20-16)13-3-2-10-23-13/h2-5,7-8,10H,6,9H2,1H3,(H2,17,18,19,20,21).
What are the key properties of N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)propanamide?
N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 312.33 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 154770900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).