(2S,5R)-5-(aminomethyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-2-carboxamide

C15H17ClN4O3 — CID 120793902

IUPAC(2S,5R)-5-(aminomethyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NCc2nc(-c3cccc(Cl)c3)no2)O1
InChIInChI=1S/C15H17ClN4O3/c16-10-3-1-2-9(6-10)14-19-13(23-20-14)8-18-15(21)12-5-4-11(7-17)22-12/h1-3,6,11-12H,4-5,7-8,17H2,(H,18,21)/t11-,12+/m1/s1
InChIKeyYHAGZERXSHZQSM-NEPJUHHUSA-N
MW336.78 g/mol
LogP1.51
Rot. Bonds5

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

(2S,5R)-5-(aminomethyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-2-carboxamide (PubChem CID 120793902) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-2-carboxamide
PubChem CID120793902
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NCc2nc(-c3cccc(Cl)c3)no2)O1
InChIInChI=1S/C15H17ClN4O3/c16-10-3-1-2-9(6-10)14-19-13(23-20-14)8-18-15(21)12-5-4-11(7-17)22-12/h1-3,6,11-12H,4-5,7-8,17H2,(H,18,21)/t11-,12+/m1/s1
InChIKeyYHAGZERXSHZQSM-NEPJUHHUSA-N
XLogP1.51
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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(1S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide
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CID 120789046
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N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,6-dichlorophenyl)propanamide
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(2S,5R)-5-(aminomethyl)-N-[(4-chloro-2-methoxyphenyl)methyl]oxolane-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-2-carboxamide (CID 120793902) is (2S,5R)-5-(aminomethyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)NCc2nc(-c3cccc(Cl)c3)no2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-2-carboxamide?
The InChIKey is YHAGZERXSHZQSM-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c16-10-3-1-2-9(6-10)14-19-13(23-20-14)8-18-15(21)12-5-4-11(7-17)22-12/h1-3,6,11-12H,4-5,7-8,17H2,(H,18,21)/t11-,12+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-2-carboxamide has a molecular weight of 336.78 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 120793902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).