3-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-fluorophenyl]-1,3-oxazolidin-2-one

C19H23FN4O3 — CID 167839741

IUPAC3-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-fluorophenyl]-1,3-oxazolidin-2-one
SMILESCOCCn1nc(C2CCCC2)nc1-c1cc(N2CCOC2=O)ccc1F
InChIInChI=1S/C19H23FN4O3/c1-26-10-9-24-18(21-17(22-24)13-4-2-3-5-13)15-12-14(6-7-16(15)20)23-8-11-27-19(23)25/h6-7,12-13H,2-5,8-11H2,1H3
InChIKeyYVVUEXZCHZYFSM-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.34
Rot. Bonds6

About 3-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-fluorophenyl]-1,3-oxazolidin-2-one

3-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-fluorophenyl]-1,3-oxazolidin-2-one (PubChem CID 167839741) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 3-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-fluorophenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-fluorophenyl]-1,3-oxazolidin-2-one
PubChem CID167839741
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name3-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-fluorophenyl]-1,3-oxazolidin-2-one
SMILESCOCCn1nc(C2CCCC2)nc1-c1cc(N2CCOC2=O)ccc1F
InChIInChI=1S/C19H23FN4O3/c1-26-10-9-24-18(21-17(22-24)13-4-2-3-5-13)15-12-14(6-7-16(15)20)23-8-11-27-19(23)25/h6-7,12-13H,2-5,8-11H2,1H3
InChIKeyYVVUEXZCHZYFSM-UHFFFAOYSA-N
XLogP3.34
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-fluorophenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-fluorophenyl]-1,3-oxazolidin-2-one (CID 167839741) is 3-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-fluorophenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-fluorophenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-fluorophenyl]-1,3-oxazolidin-2-one is COCCn1nc(C2CCCC2)nc1-c1cc(N2CCOC2=O)ccc1F.
What is the InChIKey of 3-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-fluorophenyl]-1,3-oxazolidin-2-one?
The InChIKey is YVVUEXZCHZYFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-26-10-9-24-18(21-17(22-24)13-4-2-3-5-13)15-12-14(6-7-16(15)20)23-8-11-27-19(23)25/h6-7,12-13H,2-5,8-11H2,1H3.
What are the key properties of 3-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-fluorophenyl]-1,3-oxazolidin-2-one?
3-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-fluorophenyl]-1,3-oxazolidin-2-one has a molecular weight of 374.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-fluorophenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 167839741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).