1,3-dihydro-2-benzofuran-5-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone

C18H22N4O3 — CID 71872812

IUPAC1,3-dihydro-2-benzofuran-5-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
SMILESCC(C)c1n[nH]c(C2CN(C(=O)c3ccc4c(c3)COC4)CCO2)n1
InChIInChI=1S/C18H22N4O3/c1-11(2)16-19-17(21-20-16)15-8-22(5-6-25-15)18(23)12-3-4-13-9-24-10-14(13)7-12/h3-4,7,11,15H,5-6,8-10H2,1-2H3,(H,19,20,21)
InChIKeyDTNNXSOCNIAHLN-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.17
Rot. Bonds3

About 1,3-dihydro-2-benzofuran-5-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone

1,3-dihydro-2-benzofuran-5-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone (PubChem CID 71872812) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
PubChem CID71872812
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
SMILESCC(C)c1n[nH]c(C2CN(C(=O)c3ccc4c(c3)COC4)CCO2)n1
InChIInChI=1S/C18H22N4O3/c1-11(2)16-19-17(21-20-16)15-8-22(5-6-25-15)18(23)12-3-4-13-9-24-10-14(13)7-12/h3-4,7,11,15H,5-6,8-10H2,1-2H3,(H,19,20,21)
InChIKeyDTNNXSOCNIAHLN-UHFFFAOYSA-N
XLogP2.17
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3-dihydro-2-benzofuran-5-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[2-(dimethylamino)-4-pyridinyl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511701
[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 97018940
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511671
(2,5-dimethylthiophen-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 71928746
[6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511678
(2-methyl-1H-imidazol-5-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96512691
(5-ethyl-1,3-oxazol-4-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511796
imidazo[1,2-a]pyrazin-8-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96512697
2-(4-fluorophenoxy)-1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
CID 71928752
2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
CID 96511705
(3R)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrrol-1-ylbutan-1-one
CID 96511727
(3S)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrrol-1-ylbutan-1-one
CID 96511729

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone (CID 71872812) is 1,3-dihydro-2-benzofuran-5-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone is CC(C)c1n[nH]c(C2CN(C(=O)c3ccc4c(c3)COC4)CCO2)n1.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is DTNNXSOCNIAHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11(2)16-19-17(21-20-16)15-8-22(5-6-25-15)18(23)12-3-4-13-9-24-10-14(13)7-12/h3-4,7,11,15H,5-6,8-10H2,1-2H3,(H,19,20,21).
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
1,3-dihydro-2-benzofuran-5-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 71872812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).