(5-fluoro-1-benzofuran-2-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

C16H15FN4O3 — CID 128997708

IUPAC(5-fluoro-1-benzofuran-2-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCn1cnnc1C1CN(C(=O)c2cc3cc(F)ccc3o2)CCO1
InChIInChI=1S/C16H15FN4O3/c1-20-9-18-19-15(20)14-8-21(4-5-23-14)16(22)13-7-10-6-11(17)2-3-12(10)24-13/h2-3,6-7,9,14H,4-5,8H2,1H3
InChIKeyJHCKXRGXYVYGLE-UHFFFAOYSA-N
MW330.32 g/mol
LogP1.91
Rot. Bonds2

About (5-fluoro-1-benzofuran-2-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

(5-fluoro-1-benzofuran-2-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (PubChem CID 128997708) has the molecular formula C16H15FN4O3 and a molecular weight of 330.32 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
PubChem CID128997708
Molecular FormulaC16H15FN4O3
Molecular Weight330.32 g/mol
Exact Mass330.11
IUPAC Name(5-fluoro-1-benzofuran-2-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCn1cnnc1C1CN(C(=O)c2cc3cc(F)ccc3o2)CCO1
InChIInChI=1S/C16H15FN4O3/c1-20-9-18-19-15(20)14-8-21(4-5-23-14)16(22)13-7-10-6-11(17)2-3-12(10)24-13/h2-3,6-7,9,14H,4-5,8H2,1H3
InChIKeyJHCKXRGXYVYGLE-UHFFFAOYSA-N
XLogP1.91
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129006400
(5-chloro-1-benzofuran-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 134044267
(2R)-N-[(2,5-difluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
CID 129329934
[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129342128
(5-fluoro-1-benzofuran-2-yl)-morpholin-4-ylmethanone
CID 129197806
(2R)-2-(3-fluorophenoxy)-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propan-1-one
CID 129338960
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129329680
(3S)-3-(3-fluorophenyl)-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one
CID 129342102
(3-methoxy-4-methylphenyl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129006421
(4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129328081
(5-chloro-2-methoxyphenyl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128967021
(2S)-2-cyclopropyl-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone
CID 129328732

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-2-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (CID 128997708) is (5-fluoro-1-benzofuran-2-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is Cn1cnnc1C1CN(C(=O)c2cc3cc(F)ccc3o2)CCO1.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is JHCKXRGXYVYGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3/c1-20-9-18-19-15(20)14-8-21(4-5-23-14)16(22)13-7-10-6-11(17)2-3-12(10)24-13/h2-3,6-7,9,14H,4-5,8H2,1H3.
What are the key properties of (5-fluoro-1-benzofuran-2-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
(5-fluoro-1-benzofuran-2-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 330.32 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzofuran-2-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 128997708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).