4-amino-N-[2-[(2-ethoxyphenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride

C14H20ClN5O3 — CID 2969950

IUPAC4-amino-N-[2-[(2-ethoxyphenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride
SMILESCCOc1ccccc1CNCCNC(=O)c1nonc1N.Cl
InChIInChI=1S/C14H19N5O3.ClH/c1-2-21-11-6-4-3-5-10(11)9-16-7-8-17-14(20)12-13(15)19-22-18-12;/h3-6,16H,2,7-9H2,1H3,(H2,15,19)(H,17,20);1H
InChIKeyHKGCNXURJVJANT-UHFFFAOYSA-N
MW341.80 g/mol
LogP0.99
Rot. Bonds8

About 4-amino-N-[2-[(2-ethoxyphenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride

4-amino-N-[2-[(2-ethoxyphenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride (PubChem CID 2969950) has the molecular formula C14H20ClN5O3 and a molecular weight of 341.80 g/mol. Its IUPAC name is 4-amino-N-[2-[(2-ethoxyphenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-[(2-ethoxyphenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride
PubChem CID2969950
Molecular FormulaC14H20ClN5O3
Molecular Weight341.80 g/mol
Exact Mass341.13
IUPAC Name4-amino-N-[2-[(2-ethoxyphenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride
SMILESCCOc1ccccc1CNCCNC(=O)c1nonc1N.Cl
InChIInChI=1S/C14H19N5O3.ClH/c1-2-21-11-6-4-3-5-10(11)9-16-7-8-17-14(20)12-13(15)19-22-18-12;/h3-6,16H,2,7-9H2,1H3,(H2,15,19)(H,17,20);1H
InChIKeyHKGCNXURJVJANT-UHFFFAOYSA-N
XLogP0.99
TPSA115.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride
CID 17332945
4-amino-N-[2-[(3-ethoxy-4-phenylmethoxyphenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride
CID 17292777
4-amino-N-[2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 4718502
4-amino-N-[2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride
CID 17293077
4-amino-N-[2-[(4-fluorophenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 2304316
3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide
CID 60925933
1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 2967945
4-amino-N-[2-[[4-(dimethylamino)phenyl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide chloride
CID 21233363
2-amino-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334706
4-amino-N-[2-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 66530843
4-amino-N-[(2-bromophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 62687471
2-amino-N-[(2-ethoxyphenyl)methyl]acetamide;hydrochloride
CID 119279613

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(2-ethoxyphenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-[(2-ethoxyphenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride (CID 2969950) is 4-amino-N-[2-[(2-ethoxyphenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-[(2-ethoxyphenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-[(2-ethoxyphenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride is CCOc1ccccc1CNCCNC(=O)c1nonc1N.Cl.
What is the InChIKey of 4-amino-N-[2-[(2-ethoxyphenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride?
The InChIKey is HKGCNXURJVJANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3.ClH/c1-2-21-11-6-4-3-5-10(11)9-16-7-8-17-14(20)12-13(15)19-22-18-12;/h3-6,16H,2,7-9H2,1H3,(H2,15,19)(H,17,20);1H.
What are the key properties of 4-amino-N-[2-[(2-ethoxyphenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride?
4-amino-N-[2-[(2-ethoxyphenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride has a molecular weight of 341.80 g/mol, XLogP of 0.99, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(2-ethoxyphenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 2969950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).