[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indol-2-yl] N-[1-(oxan-4-yl)piperidin-4-yl]carbamate

C27H29ClN4O4S — CID 90309541

IUPAC[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indol-2-yl] N-[1-(oxan-4-yl)piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(C2CCOCC2)CC1)Oc1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C27H29ClN4O4S/c28-25-6-5-24(37-25)23-16-20(30-36-23)17-32-22-4-2-1-3-18(22)15-26(32)35-27(33)29-19-7-11-31(12-8-19)21-9-13-34-14-10-21/h1-6,15-16,19,21H,7-14,17H2,(H,29,33)
InChIKeyCPSPFKWFEVJNQZ-UHFFFAOYSA-N
MW541.07 g/mol
LogP5.79
Rot. Bonds6

About [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indol-2-yl] N-[1-(oxan-4-yl)piperidin-4-yl]carbamate

[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indol-2-yl] N-[1-(oxan-4-yl)piperidin-4-yl]carbamate (PubChem CID 90309541) has the molecular formula C27H29ClN4O4S and a molecular weight of 541.07 g/mol. Its IUPAC name is [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indol-2-yl] N-[1-(oxan-4-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Name[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indol-2-yl] N-[1-(oxan-4-yl)piperidin-4-yl]carbamate
PubChem CID90309541
Molecular FormulaC27H29ClN4O4S
Molecular Weight541.07 g/mol
Exact Mass540.16
IUPAC Name[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indol-2-yl] N-[1-(oxan-4-yl)piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(C2CCOCC2)CC1)Oc1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C27H29ClN4O4S/c28-25-6-5-24(37-25)23-16-20(30-36-23)17-32-22-4-2-1-3-18(22)15-26(32)35-27(33)29-19-7-11-31(12-8-19)21-9-13-34-14-10-21/h1-6,15-16,19,21H,7-14,17H2,(H,29,33)
InChIKeyCPSPFKWFEVJNQZ-UHFFFAOYSA-N
XLogP5.79
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.07
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indol-2-yl] N-[1-(oxan-4-yl)piperidin-4-yl]carbamate?
The IUPAC name of [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indol-2-yl] N-[1-(oxan-4-yl)piperidin-4-yl]carbamate (CID 90309541) is [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indol-2-yl] N-[1-(oxan-4-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indol-2-yl] N-[1-(oxan-4-yl)piperidin-4-yl]carbamate?
The canonical SMILES for [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indol-2-yl] N-[1-(oxan-4-yl)piperidin-4-yl]carbamate is O=C(NC1CCN(C2CCOCC2)CC1)Oc1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1.
What is the InChIKey of [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indol-2-yl] N-[1-(oxan-4-yl)piperidin-4-yl]carbamate?
The InChIKey is CPSPFKWFEVJNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O4S/c28-25-6-5-24(37-25)23-16-20(30-36-23)17-32-22-4-2-1-3-18(22)15-26(32)35-27(33)29-19-7-11-31(12-8-19)21-9-13-34-14-10-21/h1-6,15-16,19,21H,7-14,17H2,(H,29,33).
What are the key properties of [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indol-2-yl] N-[1-(oxan-4-yl)piperidin-4-yl]carbamate?
[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indol-2-yl] N-[1-(oxan-4-yl)piperidin-4-yl]carbamate has a molecular weight of 541.07 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indol-2-yl] N-[1-(oxan-4-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 90309541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).