4-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]butanenitrile

C16H18N4O2 — CID 97344593

IUPAC4-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]butanenitrile
SMILESN#CCCCN1CCO[C@H](c2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C16H18N4O2/c17-8-4-5-9-20-10-11-21-14(12-20)15-18-16(22-19-15)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,9-12H2/t14-/m0/s1
InChIKeyCIODOBFZHKMFTI-AWEZNQCLSA-N
MW298.35 g/mol
LogP2.41
Rot. Bonds5

About 4-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]butanenitrile

4-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]butanenitrile (PubChem CID 97344593) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]butanenitrile.

Molecular Properties

Compound Name4-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]butanenitrile
PubChem CID97344593
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name4-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]butanenitrile
SMILESN#CCCCN1CCO[C@H](c2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C16H18N4O2/c17-8-4-5-9-20-10-11-21-14(12-20)15-18-16(22-19-15)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,9-12H2/t14-/m0/s1
InChIKeyCIODOBFZHKMFTI-AWEZNQCLSA-N
XLogP2.41
TPSA75.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-(2-methoxyethyl)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344588
(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyridin-2-ylmethyl)morpholine
CID 97344246
2-methoxy-5-[[2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]phenol
CID 75474380
2-methoxy-5-[[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]phenol
CID 97344248
5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile
CID 95341250
[3-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 79665327
4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525764
3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 79086384
(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine
CID 97344792
2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine
CID 75474712
1-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
CID 166409198
(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine
CID 97344255

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]butanenitrile?
The IUPAC name of 4-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]butanenitrile (CID 97344593) is 4-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]butanenitrile.
What is the SMILES notation for 4-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]butanenitrile?
The canonical SMILES for 4-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]butanenitrile is N#CCCCN1CCO[C@H](c2noc(-c3ccccc3)n2)C1.
What is the InChIKey of 4-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]butanenitrile?
The InChIKey is CIODOBFZHKMFTI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N4O2/c17-8-4-5-9-20-10-11-21-14(12-20)15-18-16(22-19-15)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,9-12H2/t14-/m0/s1.
What are the key properties of 4-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]butanenitrile?
4-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]butanenitrile has a molecular weight of 298.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]butanenitrile is sourced from PubChem (CID 97344593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).