(3S)-N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide

C18H15N5O3S — CID 100763732

IUPAC(3S)-N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCOC[C@H]2c2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C18H15N5O3S/c19-10-12-3-5-13(6-4-12)20-18(24)23-7-8-25-11-14(23)17-21-16(22-26-17)15-2-1-9-27-15/h1-6,9,14H,7-8,11H2,(H,20,24)/t14-/m0/s1
InChIKeyVTGQYZPNYNJYPZ-AWEZNQCLSA-N
MW381.42 g/mol
LogP3.28
Rot. Bonds3

About (3S)-N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide

(3S)-N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide (PubChem CID 100763732) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is (3S)-N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide
PubChem CID100763732
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC Name(3S)-N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCOC[C@H]2c2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C18H15N5O3S/c19-10-12-3-5-13(6-4-12)20-18(24)23-7-8-25-11-14(23)17-21-16(22-26-17)15-2-1-9-27-15/h1-6,9,14H,7-8,11H2,(H,20,24)/t14-/m0/s1
InChIKeyVTGQYZPNYNJYPZ-AWEZNQCLSA-N
XLogP3.28
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 1457234
3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propanoic acid
CID 167927950
(2S)-N-(4-cyanophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7411418
1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carbonyl]phenyl]piperidin-2-one
CID 119037790
(2S)-N-(4-cyanophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7296755
N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51229421
(2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 99818290
4-(piperidin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120858346
(2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 51407287
(2R)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 51407288
N-(4-cyanophenyl)morpholine-4-carboxamide
CID 4984315
4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 51096359

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide?
The IUPAC name of (3S)-N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide (CID 100763732) is (3S)-N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide.
What is the SMILES notation for (3S)-N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide?
The canonical SMILES for (3S)-N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide is N#Cc1ccc(NC(=O)N2CCOC[C@H]2c2nc(-c3cccs3)no2)cc1.
What is the InChIKey of (3S)-N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide?
The InChIKey is VTGQYZPNYNJYPZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H15N5O3S/c19-10-12-3-5-13(6-4-12)20-18(24)23-7-8-25-11-14(23)17-21-16(22-26-17)15-2-1-9-27-15/h1-6,9,14H,7-8,11H2,(H,20,24)/t14-/m0/s1.
What are the key properties of (3S)-N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide?
(3S)-N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide is sourced from PubChem (CID 100763732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).