(2R,3S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C15H18Cl2N4O3 — CID 120933610

IUPAC(2R,3S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1nc(-c2cccc(Cl)c2)no1.Cl
InChIInChI=1S/C15H17ClN4O3.ClH/c1-9-13(17-5-6-22-9)15(21)18-8-12-19-14(20-23-12)10-3-2-4-11(16)7-10;/h2-4,7,9,13,17H,5-6,8H2,1H3,(H,18,21);1H/t9-,13+;/m1./s1
InChIKeyDBBBHPHOOHAAMQ-XVUIFDSFSA-N
MW373.24 g/mol
LogP1.80
Rot. Bonds4

About (2R,3S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120933610) has the molecular formula C15H18Cl2N4O3 and a molecular weight of 373.24 g/mol. Its IUPAC name is (2R,3S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120933610
Molecular FormulaC15H18Cl2N4O3
Molecular Weight373.24 g/mol
Exact Mass372.08
IUPAC Name(2R,3S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1nc(-c2cccc(Cl)c2)no1.Cl
InChIInChI=1S/C15H17ClN4O3.ClH/c1-9-13(17-5-6-22-9)15(21)18-8-12-19-14(20-23-12)10-3-2-4-11(16)7-10;/h2-4,7,9,13,17H,5-6,8H2,1H3,(H,18,21);1H/t9-,13+;/m1./s1
InChIKeyDBBBHPHOOHAAMQ-XVUIFDSFSA-N
XLogP1.80
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120933610) is (2R,3S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NCc1nc(-c2cccc(Cl)c2)no1.Cl.
What is the InChIKey of (2R,3S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is DBBBHPHOOHAAMQ-XVUIFDSFSA-N. The full InChI is InChI=1S/C15H17ClN4O3.ClH/c1-9-13(17-5-6-22-9)15(21)18-8-12-19-14(20-23-12)10-3-2-4-11(16)7-10;/h2-4,7,9,13,17H,5-6,8H2,1H3,(H,18,21);1H/t9-,13+;/m1./s1.
What are the key properties of (2R,3S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 373.24 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120933610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).