4-amino-N-[2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide

C18H21N5O4 — CID 8639224

IUPAC4-amino-N-[2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESC[C@H](O)c1ccc(-c2ccc(CNCCNC(=O)c3nonc3N)o2)cc1
InChIInChI=1S/C18H21N5O4/c1-11(24)12-2-4-13(5-3-12)15-7-6-14(26-15)10-20-8-9-21-18(25)16-17(19)23-27-22-16/h2-7,11,20,24H,8-10H2,1H3,(H2,19,23)(H,21,25)/t11-/m0/s1
InChIKeyXSDGKEVGPALGKH-NSHDSACASA-N
MW371.40 g/mol
LogP1.48
Rot. Bonds8

About 4-amino-N-[2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 8639224) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is 4-amino-N-[2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID8639224
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC Name4-amino-N-[2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESC[C@H](O)c1ccc(-c2ccc(CNCCNC(=O)c3nonc3N)o2)cc1
InChIInChI=1S/C18H21N5O4/c1-11(24)12-2-4-13(5-3-12)15-7-6-14(26-15)10-20-8-9-21-18(25)16-17(19)23-27-22-16/h2-7,11,20,24H,8-10H2,1H3,(H2,19,23)(H,21,25)/t11-/m0/s1
InChIKeyXSDGKEVGPALGKH-NSHDSACASA-N
XLogP1.48
TPSA139.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride
CID 17332186
4-amino-N-[2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 4724324
1-[4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17333543
1-[4-[5-[[2-(dimethylamino)ethylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4725000
(1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol
CID 8639245
(1S)-1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol
CID 8639329
1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride
CID 17333534
1-[4-[5-[[2-(4-nitroanilino)ethylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4724984
1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4725011
ethyl 4-[5-[[2-(2-hydroxypropylamino)ethylamino]methyl]furan-2-yl]benzoate;dihydrochloride
CID 17331156
4-amino-N-[2-[(4-fluorophenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 2304316
4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide
CID 106134755

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide (CID 8639224) is 4-amino-N-[2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide is C[C@H](O)c1ccc(-c2ccc(CNCCNC(=O)c3nonc3N)o2)cc1.
What is the InChIKey of 4-amino-N-[2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is XSDGKEVGPALGKH-NSHDSACASA-N. The full InChI is InChI=1S/C18H21N5O4/c1-11(24)12-2-4-13(5-3-12)15-7-6-14(26-15)10-20-8-9-21-18(25)16-17(19)23-27-22-16/h2-7,11,20,24H,8-10H2,1H3,(H2,19,23)(H,21,25)/t11-/m0/s1.
What are the key properties of 4-amino-N-[2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 1.48, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 8639224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).