N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine-2-carboxamide

C16H20N4O3 — CID 56884654

IUPACN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine-2-carboxamide
SMILESO=C(NCCc1nc(Cc2ccccc2)no1)C1CNCCO1
InChIInChI=1S/C16H20N4O3/c21-16(13-11-17-8-9-22-13)18-7-6-15-19-14(20-23-15)10-12-4-2-1-3-5-12/h1-5,13,17H,6-11H2,(H,18,21)
InChIKeySVUUWXTUPPBKKF-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.31
Rot. Bonds6

About N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine-2-carboxamide

N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine-2-carboxamide (PubChem CID 56884654) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine-2-carboxamide
PubChem CID56884654
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine-2-carboxamide
SMILESO=C(NCCc1nc(Cc2ccccc2)no1)C1CNCCO1
InChIInChI=1S/C16H20N4O3/c21-16(13-11-17-8-9-22-13)18-7-6-15-19-14(20-23-15)10-12-4-2-1-3-5-12/h1-5,13,17H,6-11H2,(H,18,21)
InChIKeySVUUWXTUPPBKKF-UHFFFAOYSA-N
XLogP0.31
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-Benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 47038086
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-3-ylacetamide
CID 56903197
6-({[2-(3-Benzyl-1,2,4-oxadiazol-5-YL)ethyl]amino}methyl)-1,4-oxazepan-6-OL
CID 70718012
N~3~-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-piperidinedicarboxamide
CID 70785790
2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 71783689
1-[3-(5-Methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(2-phenylethoxy)ethanone
CID 72147310
1-acetyl-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-piperidinecarboxamide
CID 72850846
N~1~-(4-fluorobenzyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]tetrahydro-1(2H)-pyridinecarboxamide
CID 87053246
N~1~-(3-fluorobenzyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]tetrahydro-1(2H)-pyridinecarboxamide
CID 87053247
3-[5-(Ethoxymethyl)-1,2,4-oxadiazol-3-YL]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 91907882
N-{2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}-2-phenylpropanamide
CID 91907295
N-benzyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide
CID 71686988

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine-2-carboxamide (CID 56884654) is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine-2-carboxamide is O=C(NCCc1nc(Cc2ccccc2)no1)C1CNCCO1.
What is the InChIKey of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine-2-carboxamide?
The InChIKey is SVUUWXTUPPBKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-16(13-11-17-8-9-22-13)18-7-6-15-19-14(20-23-15)10-12-4-2-1-3-5-12/h1-5,13,17H,6-11H2,(H,18,21).
What are the key properties of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine-2-carboxamide?
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 56884654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).