5-(morpholin-4-ylmethyl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide

C20H23N5O3 — CID 97188780

IUPAC5-(morpholin-4-ylmethyl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1coc(CN2CCOCC2)c1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H23N5O3/c1-15(16-2-4-18(5-3-16)25-14-21-13-22-25)23-20(26)17-10-19(28-12-17)11-24-6-8-27-9-7-24/h2-5,10,12-15H,6-9,11H2,1H3,(H,23,26)/t15-/m0/s1
InChIKeyGNVUKAPTJHEUGL-HNNXBMFYSA-N
MW381.44 g/mol
LogP2.18
Rot. Bonds6

About 5-(morpholin-4-ylmethyl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide

5-(morpholin-4-ylmethyl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide (PubChem CID 97188780) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name5-(morpholin-4-ylmethyl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide
PubChem CID97188780
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name5-(morpholin-4-ylmethyl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1coc(CN2CCOCC2)c1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H23N5O3/c1-15(16-2-4-18(5-3-16)25-14-21-13-22-25)23-20(26)17-10-19(28-12-17)11-24-6-8-27-9-7-24/h2-5,10,12-15H,6-9,11H2,1H3,(H,23,26)/t15-/m0/s1
InChIKeyGNVUKAPTJHEUGL-HNNXBMFYSA-N
XLogP2.18
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(morpholin-4-ylmethyl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide with MolForge

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Related Compounds

1-methyl-2-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 35710633
4-(1,3-oxazol-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 47059602
3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582937
N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 125172950
N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2H-triazole-4-carboxamide
CID 95715538
2-methyl-1,3-dioxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]isoindole-5-carboxamide
CID 39964916
4-bromo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 51218022
2-(ethylamino)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidine-5-carboxamide
CID 97138534
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 74237864
N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 118788788
3-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17494838
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 91783278

Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethyl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide?
The IUPAC name of 5-(morpholin-4-ylmethyl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide (CID 97188780) is 5-(morpholin-4-ylmethyl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide.
What is the SMILES notation for 5-(morpholin-4-ylmethyl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide?
The canonical SMILES for 5-(morpholin-4-ylmethyl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide is C[C@H](NC(=O)c1coc(CN2CCOCC2)c1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 5-(morpholin-4-ylmethyl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide?
The InChIKey is GNVUKAPTJHEUGL-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-15(16-2-4-18(5-3-16)25-14-21-13-22-25)23-20(26)17-10-19(28-12-17)11-24-6-8-27-9-7-24/h2-5,10,12-15H,6-9,11H2,1H3,(H,23,26)/t15-/m0/s1.
What are the key properties of 5-(morpholin-4-ylmethyl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide?
5-(morpholin-4-ylmethyl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethyl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 97188780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).