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

C26H28FN7O2 — CID 10917953

IUPAC3-[2-[4-[1-(4-fluorophenyl)-5-(2-methyltetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1
InChIInChI=1S/C26H28FN7O2/c1-31-29-25(28-30-31)19-2-7-24-22(16-19)23(17-34(24)21-5-3-20(27)4-6-21)18-8-10-32(11-9-18)12-13-33-14-15-36-26(33)35/h2-7,16-18H,8-15H2,1H3
InChIKeySPHRCFFKJXRWLW-UHFFFAOYSA-N
MW489.56 g/mol
LogP3.59
Rot. Bonds6

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

3-[2-[4-[1-(4-fluorophenyl)-5-(2-methyltetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 10917953) has the molecular formula C26H28FN7O2 and a molecular weight of 489.56 g/mol. Its IUPAC name is 3-[2-[4-[1-(4-fluorophenyl)-5-(2-methyltetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-[1-(4-fluorophenyl)-5-(2-methyltetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID10917953
Molecular FormulaC26H28FN7O2
Molecular Weight489.56 g/mol
Exact Mass489.23
IUPAC Name3-[2-[4-[1-(4-fluorophenyl)-5-(2-methyltetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1
InChIInChI=1S/C26H28FN7O2/c1-31-29-25(28-30-31)19-2-7-24-22(16-19)23(17-34(24)21-5-3-20(27)4-6-21)18-8-10-32(11-9-18)12-13-33-14-15-36-26(33)35/h2-7,16-18H,8-15H2,1H3
InChIKeySPHRCFFKJXRWLW-UHFFFAOYSA-N
XLogP3.59
TPSA81.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[1-(4-fluorophenyl)-5-(2-methyltetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-[1-(4-fluorophenyl)-5-(2-methyltetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 10917953) is 3-[2-[4-[1-(4-fluorophenyl)-5-(2-methyltetrazol-5-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-(2-methyltetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-[1-(4-fluorophenyl)-5-(2-methyltetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1.
What is the InChIKey of 3-[2-[4-[1-(4-fluorophenyl)-5-(2-methyltetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is SPHRCFFKJXRWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O2/c1-31-29-25(28-30-31)19-2-7-24-22(16-19)23(17-34(24)21-5-3-20(27)4-6-21)18-8-10-32(11-9-18)12-13-33-14-15-36-26(33)35/h2-7,16-18H,8-15H2,1H3.
What are the key properties of 3-[2-[4-[1-(4-fluorophenyl)-5-(2-methyltetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-[4-[1-(4-fluorophenyl)-5-(2-methyltetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 489.56 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[1-(4-fluorophenyl)-5-(2-methyltetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10917953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).