(2S,5R)-5-(aminomethyl)-N-(2-imidazol-1-ylphenyl)oxolane-2-carboxamide;dihydrochloride

C15H20Cl2N4O2 — CID 120797789

IUPAC(2S,5R)-5-(aminomethyl)-N-(2-imidazol-1-ylphenyl)oxolane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC[C@H]1CC[C@@H](C(=O)Nc2ccccc2-n2ccnc2)O1
InChIInChI=1S/C15H18N4O2.2ClH/c16-9-11-5-6-14(21-11)15(20)18-12-3-1-2-4-13(12)19-8-7-17-10-19;;/h1-4,7-8,10-11,14H,5-6,9,16H2,(H,18,20);2*1H/t11-,14+;;/m1../s1
InChIKeyLYJIKAXCKZAVRR-LDDNZVBMSA-N
MW359.26 g/mol
LogP2.16
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-(2-imidazol-1-ylphenyl)oxolane-2-carboxamide;dihydrochloride

(2S,5R)-5-(aminomethyl)-N-(2-imidazol-1-ylphenyl)oxolane-2-carboxamide;dihydrochloride (PubChem CID 120797789) has the molecular formula C15H20Cl2N4O2 and a molecular weight of 359.26 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(2-imidazol-1-ylphenyl)oxolane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(2-imidazol-1-ylphenyl)oxolane-2-carboxamide;dihydrochloride
PubChem CID120797789
Molecular FormulaC15H20Cl2N4O2
Molecular Weight359.26 g/mol
Exact Mass358.10
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(2-imidazol-1-ylphenyl)oxolane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC[C@H]1CC[C@@H](C(=O)Nc2ccccc2-n2ccnc2)O1
InChIInChI=1S/C15H18N4O2.2ClH/c16-9-11-5-6-14(21-11)15(20)18-12-3-1-2-4-13(12)19-8-7-17-10-19;;/h1-4,7-8,10-11,14H,5-6,9,16H2,(H,18,20);2*1H/t11-,14+;;/m1../s1
InChIKeyLYJIKAXCKZAVRR-LDDNZVBMSA-N
XLogP2.16
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide
CID 120801756
N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide
CID 12911535
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S,5R)-5-(aminomethyl)-N-(1-methyl-2-oxo-3-pyridinyl)oxolane-2-carboxamide
CID 120793010
N-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110471752
5-(aminomethyl)-N-(4-chloro-3-pyridinyl)oxolane-2-carboxamide
CID 83167410
5-(aminomethyl)-N-pyridazin-3-yloxolane-2-carboxamide
CID 116786747
(2S,5R)-5-(aminomethyl)-N-[2-(dimethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 120787008
(3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide
CID 81123663
(2S,5R)-5-(aminomethyl)-N-[2-(2-chlorophenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120784929
N-(2-imidazol-1-ylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434124
(2S,5R)-5-(aminomethyl)-N-[2-[(4-tert-butylbenzoyl)amino]phenyl]oxolane-2-carboxamide;hydrochloride
CID 120786305

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-imidazol-1-ylphenyl)oxolane-2-carboxamide;dihydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-imidazol-1-ylphenyl)oxolane-2-carboxamide;dihydrochloride (CID 120797789) is (2S,5R)-5-(aminomethyl)-N-(2-imidazol-1-ylphenyl)oxolane-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(2-imidazol-1-ylphenyl)oxolane-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(2-imidazol-1-ylphenyl)oxolane-2-carboxamide;dihydrochloride is Cl.Cl.NC[C@H]1CC[C@@H](C(=O)Nc2ccccc2-n2ccnc2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(2-imidazol-1-ylphenyl)oxolane-2-carboxamide;dihydrochloride?
The InChIKey is LYJIKAXCKZAVRR-LDDNZVBMSA-N. The full InChI is InChI=1S/C15H18N4O2.2ClH/c16-9-11-5-6-14(21-11)15(20)18-12-3-1-2-4-13(12)19-8-7-17-10-19;;/h1-4,7-8,10-11,14H,5-6,9,16H2,(H,18,20);2*1H/t11-,14+;;/m1../s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(2-imidazol-1-ylphenyl)oxolane-2-carboxamide;dihydrochloride?
(2S,5R)-5-(aminomethyl)-N-(2-imidazol-1-ylphenyl)oxolane-2-carboxamide;dihydrochloride has a molecular weight of 359.26 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(2-imidazol-1-ylphenyl)oxolane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120797789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).