3-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one

C27H29FN6O2 — CID 11016418

IUPAC3-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1
InChIInChI=1S/C27H29FN6O2/c1-31-18-29-26(30-31)20-2-7-25-23(16-20)24(17-34(25)22-5-3-21(28)4-6-22)19-8-10-32(11-9-19)12-13-33-14-15-36-27(33)35/h2-7,16-19H,8-15H2,1H3
InChIKeyKNLXBMUXNMBWBW-UHFFFAOYSA-N
MW488.57 g/mol
LogP4.20
Rot. Bonds6

About 3-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 11016418) has the molecular formula C27H29FN6O2 and a molecular weight of 488.57 g/mol. Its IUPAC name is 3-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID11016418
Molecular FormulaC27H29FN6O2
Molecular Weight488.57 g/mol
Exact Mass488.23
IUPAC Name3-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1
InChIInChI=1S/C27H29FN6O2/c1-31-18-29-26(30-31)20-2-7-25-23(16-20)24(17-34(25)22-5-3-21(28)4-6-22)19-8-10-32(11-9-19)12-13-33-14-15-36-27(33)35/h2-7,16-19H,8-15H2,1H3
InChIKeyKNLXBMUXNMBWBW-UHFFFAOYSA-N
XLogP4.20
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 11016418) is 3-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1.
What is the InChIKey of 3-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is KNLXBMUXNMBWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O2/c1-31-18-29-26(30-31)20-2-7-25-23(16-20)24(17-34(25)22-5-3-21(28)4-6-22)19-8-10-32(11-9-19)12-13-33-14-15-36-27(33)35/h2-7,16-19H,8-15H2,1H3.
What are the key properties of 3-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 488.57 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11016418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).