1-morpholin-4-yl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one

C22H26N6O5S — CID 20918534

IUPAC1-morpholin-4-yl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESO=C(CCc1nc(CN2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)no1)N1CCOCC1
InChIInChI=1S/C22H26N6O5S/c29-21(27-9-11-31-12-10-27)4-3-20-23-19(25-33-20)15-26-5-7-28(8-6-26)22(30)16-14-17(32-24-16)18-2-1-13-34-18/h1-2,13-14H,3-12,15H2
InChIKeyVGGJJVMJWBWVQS-UHFFFAOYSA-N
MW486.55 g/mol
LogP1.54
Rot. Bonds7

About 1-morpholin-4-yl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one

1-morpholin-4-yl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one (PubChem CID 20918534) has the molecular formula C22H26N6O5S and a molecular weight of 486.55 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one
PubChem CID20918534
Molecular FormulaC22H26N6O5S
Molecular Weight486.55 g/mol
Exact Mass486.17
IUPAC Name1-morpholin-4-yl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESO=C(CCc1nc(CN2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)no1)N1CCOCC1
InChIInChI=1S/C22H26N6O5S/c29-21(27-9-11-31-12-10-27)4-3-20-23-19(25-33-20)15-26-5-7-28(8-6-26)22(30)16-14-17(32-24-16)18-2-1-13-34-18/h1-2,13-14H,3-12,15H2
InChIKeyVGGJJVMJWBWVQS-UHFFFAOYSA-N
XLogP1.54
TPSA118.04 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-morpholin-4-yl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

morpholin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 3242386
N-benzyl-N-ethyl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 146052986
1-morpholin-4-yl-3-[3-[[4-(4-nitrobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one
CID 46278474
[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 32854385
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 55529250
1-[4-(2-phenylethyl)piperazin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 18121597
[4-(pyridin-3-ylmethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 134035765
piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 24858712
[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 120750643
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 30898730
1-(azepan-1-yl)-3-[3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
CID 146053061
3-(2-hydroxyphenyl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 30126215

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one (CID 20918534) is 1-morpholin-4-yl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one is O=C(CCc1nc(CN2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)no1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one?
The InChIKey is VGGJJVMJWBWVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O5S/c29-21(27-9-11-31-12-10-27)4-3-20-23-19(25-33-20)15-26-5-7-28(8-6-26)22(30)16-14-17(32-24-16)18-2-1-13-34-18/h1-2,13-14H,3-12,15H2.
What are the key properties of 1-morpholin-4-yl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one?
1-morpholin-4-yl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one has a molecular weight of 486.55 g/mol, XLogP of 1.54, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one is sourced from PubChem (CID 20918534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).