[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

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 CID: 90309541
• Molecular Formula: C27H29ClN4O4S
• Molecular Weight: 541.07 g/mol
• Exact Mass: 540.16
• 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
• SMILES: O=C(NC1CCN(C2CCOCC2)CC1)Oc1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1
• InChI: 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)
• InChIKey: CPSPFKWFEVJNQZ-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 81.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.07
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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).