[1-[1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate

C16H21ClN4O3S — CID 151865086

IUPAC[1-[1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(CC1CCN(c2noc(-c3sccc3Cl)n2)CC1)OC(N)=O
InChIInChI=1S/C16H21ClN4O3S/c1-16(2,23-14(18)22)9-10-3-6-21(7-4-10)15-19-13(24-20-15)12-11(17)5-8-25-12/h5,8,10H,3-4,6-7,9H2,1-2H3,(H2,18,22)
InChIKeySLMWWTDAZGTCQY-UHFFFAOYSA-N
MW384.89 g/mol
LogP3.93
Rot. Bonds5

About [1-[1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate

[1-[1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate (PubChem CID 151865086) has the molecular formula C16H21ClN4O3S and a molecular weight of 384.89 g/mol. Its IUPAC name is [1-[1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate
PubChem CID151865086
Molecular FormulaC16H21ClN4O3S
Molecular Weight384.89 g/mol
Exact Mass384.10
IUPAC Name[1-[1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(CC1CCN(c2noc(-c3sccc3Cl)n2)CC1)OC(N)=O
InChIInChI=1S/C16H21ClN4O3S/c1-16(2,23-14(18)22)9-10-3-6-21(7-4-10)15-19-13(24-20-15)12-11(17)5-8-25-12/h5,8,10H,3-4,6-7,9H2,1-2H3,(H2,18,22)
InChIKeySLMWWTDAZGTCQY-UHFFFAOYSA-N
XLogP3.93
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate (CID 151865086) is [1-[1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate is CC(C)(CC1CCN(c2noc(-c3sccc3Cl)n2)CC1)OC(N)=O.
What is the InChIKey of [1-[1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate?
The InChIKey is SLMWWTDAZGTCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O3S/c1-16(2,23-14(18)22)9-10-3-6-21(7-4-10)15-19-13(24-20-15)12-11(17)5-8-25-12/h5,8,10H,3-4,6-7,9H2,1-2H3,(H2,18,22).
What are the key properties of [1-[1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate?
[1-[1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate has a molecular weight of 384.89 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 151865086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).