N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide

C18H18N4O3S — CID 46296150

IUPACN-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1nc(-c2ccc(N3CCOCC3)cc2)no1)c1cccs1
InChIInChI=1S/C18H18N4O3S/c23-18(15-2-1-11-26-15)19-12-16-20-17(21-25-16)13-3-5-14(6-4-13)22-7-9-24-10-8-22/h1-6,11H,7-10,12H2,(H,19,23)
InChIKeyJVLVTWLIPPQPHJ-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.56
Rot. Bonds5

About N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide

N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 46296150) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
PubChem CID46296150
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1nc(-c2ccc(N3CCOCC3)cc2)no1)c1cccs1
InChIInChI=1S/C18H18N4O3S/c23-18(15-2-1-11-26-15)19-12-16-20-17(21-25-16)13-3-5-14(6-4-13)22-7-9-24-10-8-22/h1-6,11H,7-10,12H2,(H,19,23)
InChIKeyJVLVTWLIPPQPHJ-UHFFFAOYSA-N
XLogP2.56
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide (CID 46296150) is N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide is O=C(NCc1nc(-c2ccc(N3CCOCC3)cc2)no1)c1cccs1.
What is the InChIKey of N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is JVLVTWLIPPQPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c23-18(15-2-1-11-26-15)19-12-16-20-17(21-25-16)13-3-5-14(6-4-13)22-7-9-24-10-8-22/h1-6,11H,7-10,12H2,(H,19,23).
What are the key properties of N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 46296150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).