2-(1-benzylpiperidin-4-yl)-3-(5-chlorothiophen-2-yl)-3H-1,2-oxazol-5-amine

C19H22ClN3OS — CID 141063262

IUPAC2-(1-benzylpiperidin-4-yl)-3-(5-chlorothiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESNC1=CC(c2ccc(Cl)s2)N(C2CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C19H22ClN3OS/c20-18-7-6-17(25-18)16-12-19(21)24-23(16)15-8-10-22(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15-16H,8-11,13,21H2
InChIKeyJIYZBIPABXPZRN-UHFFFAOYSA-N
MW375.93 g/mol
LogP4.15
Rot. Bonds4

About 2-(1-benzylpiperidin-4-yl)-3-(5-chlorothiophen-2-yl)-3H-1,2-oxazol-5-amine

2-(1-benzylpiperidin-4-yl)-3-(5-chlorothiophen-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063262) has the molecular formula C19H22ClN3OS and a molecular weight of 375.93 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-3-(5-chlorothiophen-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-3-(5-chlorothiophen-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063262
Molecular FormulaC19H22ClN3OS
Molecular Weight375.93 g/mol
Exact Mass375.12
IUPAC Name2-(1-benzylpiperidin-4-yl)-3-(5-chlorothiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESNC1=CC(c2ccc(Cl)s2)N(C2CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C19H22ClN3OS/c20-18-7-6-17(25-18)16-12-19(21)24-23(16)15-8-10-22(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15-16H,8-11,13,21H2
InChIKeyJIYZBIPABXPZRN-UHFFFAOYSA-N
XLogP4.15
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.93
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-benzylpiperidin-4-yl)-3-(5-chlorothiophen-2-yl)-3H-1,2-oxazol-5-amine with MolForge

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Related Compounds

N-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-1-ethylpiperidin-4-amine
CID 44535881
3-(5-chlorothiophen-2-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063492
3-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine
CID 154453578
3-(5-chlorothiophen-2-yl)-2-[(3-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine
CID 154453584
1-[(5-Chlorothiophen-2-yl)methyl]-4-(1-phenylethyl)piperazine
CID 59382068
3-(5-chlorothiophen-2-yl)-2-(2-phenylethyl)-5H-1,2-oxazol-5-amine
CID 91570787
3-(5-ethylthiophen-2-yl)-2-(2-phenylethyl)-3H-1,2-oxazol-5-amine
CID 141063228
3-(5-chlorothiophen-2-yl)-2-(1,2-diphenylethyl)-3H-1,2-oxazol-5-amine
CID 141063238
3-(3-methylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine
CID 141063247
3-(5-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine
CID 141063255
3-(5-chlorothiophen-2-yl)-2-[3-(dibutylamino)propyl]-3H-1,2-oxazol-5-amine
CID 141063259
3-(5-ethylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine
CID 141063338

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-3-(5-chlorothiophen-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-3-(5-chlorothiophen-2-yl)-3H-1,2-oxazol-5-amine (CID 141063262) is 2-(1-benzylpiperidin-4-yl)-3-(5-chlorothiophen-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-3-(5-chlorothiophen-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-3-(5-chlorothiophen-2-yl)-3H-1,2-oxazol-5-amine is NC1=CC(c2ccc(Cl)s2)N(C2CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-3-(5-chlorothiophen-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is JIYZBIPABXPZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3OS/c20-18-7-6-17(25-18)16-12-19(21)24-23(16)15-8-10-22(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15-16H,8-11,13,21H2.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-3-(5-chlorothiophen-2-yl)-3H-1,2-oxazol-5-amine?
2-(1-benzylpiperidin-4-yl)-3-(5-chlorothiophen-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 375.93 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-3-(5-chlorothiophen-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).