3-phenyl-5-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]-1,3-oxazolidin-2-one

C18H23N5O2 — CID 91649825

IUPAC3-phenyl-5-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]-1,3-oxazolidin-2-one
SMILESCC(NCC1CN(c2ccccc2)C(=O)O1)c1nnc2n1CCCC2
InChIInChI=1S/C18H23N5O2/c1-13(17-21-20-16-9-5-6-10-22(16)17)19-11-15-12-23(18(24)25-15)14-7-3-2-4-8-14/h2-4,7-8,13,15,19H,5-6,9-12H2,1H3
InChIKeyNIJPAVUFSNGMTA-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.29
Rot. Bonds5

About 3-phenyl-5-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]-1,3-oxazolidin-2-one

3-phenyl-5-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]-1,3-oxazolidin-2-one (PubChem CID 91649825) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-phenyl-5-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-phenyl-5-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]-1,3-oxazolidin-2-one
PubChem CID91649825
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-phenyl-5-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]-1,3-oxazolidin-2-one
SMILESCC(NCC1CN(c2ccccc2)C(=O)O1)c1nnc2n1CCCC2
InChIInChI=1S/C18H23N5O2/c1-13(17-21-20-16-9-5-6-10-22(16)17)19-11-15-12-23(18(24)25-15)14-7-3-2-4-8-14/h2-4,7-8,13,15,19H,5-6,9-12H2,1H3
InChIKeyNIJPAVUFSNGMTA-UHFFFAOYSA-N
XLogP2.29
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-phenyl-5-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-3-phenyl-5-[[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]methyl]-1,3-oxazolidin-2-one
CID 99787797
(3R)-1-phenyl-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]piperidin-2-one
CID 96511939
N-[(5-methylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 71929427
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-phenylpropan-1-amine
CID 43748039
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 71929315
N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-3-phenylbutanamide
CID 110632574
1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-3-propylthiourea
CID 139799570
(5R)-5-(chloromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11310370
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-phenylethanamine
CID 43748158
(5S)-5-(2-methylpropoxymethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 124583005
5-[(5-methyltetrazol-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 86792135
ethyl 2-oxo-2-[[(5R)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methylamino]acetate
CID 40923689

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-phenyl-5-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]-1,3-oxazolidin-2-one (CID 91649825) is 3-phenyl-5-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-phenyl-5-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-phenyl-5-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]-1,3-oxazolidin-2-one is CC(NCC1CN(c2ccccc2)C(=O)O1)c1nnc2n1CCCC2.
What is the InChIKey of 3-phenyl-5-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]-1,3-oxazolidin-2-one?
The InChIKey is NIJPAVUFSNGMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13(17-21-20-16-9-5-6-10-22(16)17)19-11-15-12-23(18(24)25-15)14-7-3-2-4-8-14/h2-4,7-8,13,15,19H,5-6,9-12H2,1H3.
What are the key properties of 3-phenyl-5-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]-1,3-oxazolidin-2-one?
3-phenyl-5-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]-1,3-oxazolidin-2-one has a molecular weight of 341.42 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 91649825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).