N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C20H23N5O3S — CID 75428625

IUPACN-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCOc1ccccc1N1CCN(NC(=O)CCc2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C20H23N5O3S/c1-27-17-5-3-2-4-16(17)24-9-11-25(12-10-24)23-18(26)6-7-19-21-22-20(28-19)15-8-13-29-14-15/h2-5,8,13-14H,6-7,9-12H2,1H3,(H,23,26)
InChIKeyOZCSXJKTINBTMQ-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.59
Rot. Bonds7

About N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 75428625) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID75428625
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC NameN-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCOc1ccccc1N1CCN(NC(=O)CCc2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C20H23N5O3S/c1-27-17-5-3-2-4-16(17)24-9-11-25(12-10-24)23-18(26)6-7-19-21-22-20(28-19)15-8-13-29-14-15/h2-5,8,13-14H,6-7,9-12H2,1H3,(H,23,26)
InChIKeyOZCSXJKTINBTMQ-UHFFFAOYSA-N
XLogP2.59
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 31104889
4-methoxy-3-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
CID 55783038
N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886384
N-(4-piperidin-1-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55536464
1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 39458040
N-[(1-phenylcyclopentyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38139231
N-[4-(2-chlorophenoxy)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38014190
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55866732
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 38009868
N-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43017189
N-[(4-methylphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38039853
2-(4-fluorophenyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 17391401

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 75428625) is N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is COc1ccccc1N1CCN(NC(=O)CCc2nnc(-c3ccsc3)o2)CC1.
What is the InChIKey of N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is OZCSXJKTINBTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-27-17-5-3-2-4-16(17)24-9-11-25(12-10-24)23-18(26)6-7-19-21-22-20(28-19)15-8-13-29-14-15/h2-5,8,13-14H,6-7,9-12H2,1H3,(H,23,26).
What are the key properties of N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 413.50 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 75428625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).