(5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

C13H15ClN4O3 — CID 129341204

IUPAC(5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCCn1cnnc1[C@@H]1CN(C(=O)c2ccc(Cl)o2)CCO1
InChIInChI=1S/C13H15ClN4O3/c1-2-17-8-15-16-12(17)10-7-18(5-6-20-10)13(19)9-3-4-11(14)21-9/h3-4,8,10H,2,5-7H2,1H3/t10-/m0/s1
InChIKeyYLBTXYTYZDQMBS-JTQLQIEISA-N
MW310.74 g/mol
LogP1.76
Rot. Bonds3

About (5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

(5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (PubChem CID 129341204) has the molecular formula C13H15ClN4O3 and a molecular weight of 310.74 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
PubChem CID129341204
Molecular FormulaC13H15ClN4O3
Molecular Weight310.74 g/mol
Exact Mass310.08
IUPAC Name(5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCCn1cnnc1[C@@H]1CN(C(=O)c2ccc(Cl)o2)CCO1
InChIInChI=1S/C13H15ClN4O3/c1-2-17-8-15-16-12(17)10-7-18(5-6-20-10)13(19)9-3-4-11(14)21-9/h3-4,8,10H,2,5-7H2,1H3/t10-/m0/s1
InChIKeyYLBTXYTYZDQMBS-JTQLQIEISA-N
XLogP1.76
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone with MolForge

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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
(2-chloro-3-methylphenyl)-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129333852
(4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129338513
1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one
CID 129330853
1,3-benzodioxol-5-yl-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129339118
[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-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone
CID 129329703
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
CID 129333058
2,3-dihydro-1H-inden-4-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128998279
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 128997573
[(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

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of (5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (CID 129341204) is (5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is CCn1cnnc1[C@@H]1CN(C(=O)c2ccc(Cl)o2)CCO1.
What is the InChIKey of (5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is YLBTXYTYZDQMBS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15ClN4O3/c1-2-17-8-15-16-12(17)10-7-18(5-6-20-10)13(19)9-3-4-11(14)21-9/h3-4,8,10H,2,5-7H2,1H3/t10-/m0/s1.
What are the key properties of (5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
(5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 310.74 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129341204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).