1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

C17H18N4O3 — CID 129006400

IUPAC1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCCn1cnnc1C1CN(C(=O)c2cc3ccccc3o2)CCO1
InChIInChI=1S/C17H18N4O3/c1-2-20-11-18-19-16(20)15-10-21(7-8-23-15)17(22)14-9-12-5-3-4-6-13(12)24-14/h3-6,9,11,15H,2,7-8,10H2,1H3
InChIKeyHPEGJEWCDHULSC-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.26
Rot. Bonds3

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

1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (PubChem CID 129006400) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
PubChem CID129006400
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCCn1cnnc1C1CN(C(=O)c2cc3ccccc3o2)CCO1
InChIInChI=1S/C17H18N4O3/c1-2-20-11-18-19-16(20)15-10-21(7-8-23-15)17(22)14-9-12-5-3-4-6-13(12)24-14/h3-6,9,11,15H,2,7-8,10H2,1H3
InChIKeyHPEGJEWCDHULSC-UHFFFAOYSA-N
XLogP2.26
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129341204
[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone
CID 129329703
[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indol-6-yl)methanone
CID 129330839
[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 129338842
(5-fluoro-1-benzofuran-2-yl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128997708
(2-chloro-3-methylphenyl)-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129333852
1,3-benzodioxol-5-yl-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129339118
1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone
CID 129332693
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 128997573
[3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129332725
(2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone
CID 129334593
(4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129338513

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (CID 129006400) is 1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is CCn1cnnc1C1CN(C(=O)c2cc3ccccc3o2)CCO1.
What is the InChIKey of 1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is HPEGJEWCDHULSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-2-20-11-18-19-16(20)15-10-21(7-8-23-15)17(22)14-9-12-5-3-4-6-13(12)24-14/h3-6,9,11,15H,2,7-8,10H2,1H3.
What are the key properties of 1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 326.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129006400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).