2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-1,3-oxazole

C18H19N3OS — CID 71624770

IUPAC2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-1,3-oxazole
SMILESc1csc(CN2CCN(c3ccc(-c4ncco4)cc3)CC2)c1
InChIInChI=1S/C18H19N3OS/c1-2-17(23-13-1)14-20-8-10-21(11-9-20)16-5-3-15(4-6-16)18-19-7-12-22-18/h1-7,12-13H,8-11,14H2
InChIKeyJBMPOQOBNYTDEI-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.73
Rot. Bonds4

About 2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-1,3-oxazole

2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-1,3-oxazole (PubChem CID 71624770) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-1,3-oxazole
PubChem CID71624770
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-1,3-oxazole
SMILESc1csc(CN2CCN(c3ccc(-c4ncco4)cc3)CC2)c1
InChIInChI=1S/C18H19N3OS/c1-2-17(23-13-1)14-20-8-10-21(11-9-20)16-5-3-15(4-6-16)18-19-7-12-22-18/h1-7,12-13H,8-11,14H2
InChIKeyJBMPOQOBNYTDEI-UHFFFAOYSA-N
XLogP3.73
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

3-bromo-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1,5-naphthyridine
CID 133481610
5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133290153
5-(4-methylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine
CID 21101327
4-piperidin-1-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenol
CID 130451354
4-(thiophen-2-ylmethyl)thiomorpholine
CID 792399
5-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyridin-2-amine
CID 63776250
1-benzhydryl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzimidazole
CID 134605166
propane;4-(thiophen-2-ylmethyl)morpholine
CID 142296614
1-(thiophen-2-ylmethyl)piperazine
CID 566208
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579
4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde
CID 60679812
1-[(2-phenyltriazol-4-yl)methyl]-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 51116318

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-1,3-oxazole?
The IUPAC name of 2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-1,3-oxazole (CID 71624770) is 2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-1,3-oxazole is c1csc(CN2CCN(c3ccc(-c4ncco4)cc3)CC2)c1.
What is the InChIKey of 2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-1,3-oxazole?
The InChIKey is JBMPOQOBNYTDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-2-17(23-13-1)14-20-8-10-21(11-9-20)16-5-3-15(4-6-16)18-19-7-12-22-18/h1-7,12-13H,8-11,14H2.
What are the key properties of 2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-1,3-oxazole?
2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-1,3-oxazole has a molecular weight of 325.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-1,3-oxazole is sourced from PubChem (CID 71624770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).