3-[2-oxo-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one

C19H23N5O3 — CID 70718646

IUPAC3-[2-oxo-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCC(Cc2nncn2-c2ccccc2)CC1
InChIInChI=1S/C19H23N5O3/c25-18(13-23-10-11-27-19(23)26)22-8-6-15(7-9-22)12-17-21-20-14-24(17)16-4-2-1-3-5-16/h1-5,14-15H,6-13H2
InChIKeySRFWTXZQQLEJFS-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.50
Rot. Bonds5

About 3-[2-oxo-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-oxo-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 70718646) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-[2-oxo-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID70718646
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name3-[2-oxo-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCC(Cc2nncn2-c2ccccc2)CC1
InChIInChI=1S/C19H23N5O3/c25-18(13-23-10-11-27-19(23)26)22-8-6-15(7-9-22)12-17-21-20-14-24(17)16-4-2-1-3-5-16/h1-5,14-15H,6-13H2
InChIKeySRFWTXZQQLEJFS-UHFFFAOYSA-N
XLogP1.50
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-oxo-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 70718646) is 3-[2-oxo-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-oxo-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-oxo-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is O=C(CN1CCOC1=O)N1CCC(Cc2nncn2-c2ccccc2)CC1.
What is the InChIKey of 3-[2-oxo-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is SRFWTXZQQLEJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c25-18(13-23-10-11-27-19(23)26)22-8-6-15(7-9-22)12-17-21-20-14-24(17)16-4-2-1-3-5-16/h1-5,14-15H,6-13H2.
What are the key properties of 3-[2-oxo-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-oxo-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 369.43 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 70718646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).