3-[4-[[(4-chloro-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one

C16H16ClN3O2 — CID 167884744

IUPAC3-[4-[[(4-chloro-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(CNCc2cnccc2Cl)cc1
InChIInChI=1S/C16H16ClN3O2/c17-15-5-6-18-10-13(15)11-19-9-12-1-3-14(4-2-12)20-7-8-22-16(20)21/h1-6,10,19H,7-9,11H2
InChIKeyGLKKVAOXBMVYBF-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.98
Rot. Bonds5

About 3-[4-[[(4-chloro-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one

3-[4-[[(4-chloro-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 167884744) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 3-[4-[[(4-chloro-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[[(4-chloro-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID167884744
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name3-[4-[[(4-chloro-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(CNCc2cnccc2Cl)cc1
InChIInChI=1S/C16H16ClN3O2/c17-15-5-6-18-10-13(15)11-19-9-12-1-3-14(4-2-12)20-7-8-22-16(20)21/h1-6,10,19H,7-9,11H2
InChIKeyGLKKVAOXBMVYBF-UHFFFAOYSA-N
XLogP2.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-3-((6-(3-chloro-4-fluorophenyl)pyridin-3-yl)methyl)-5-methyloxazolidin-2-one
CID 44591795
N-{(S)-3-[3-Fluoro-4-((E)-2-pyridin-3-yl-vinyl)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 9968540
N-{(S)-3-[3-Fluoro-4-((Z)-2-fluoro-2-pyridin-3-yl-vinyl)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 10156178
N-((S)-3-{4-[(E)-2-(5-Cyano-pyridin-3-yl)-vinyl]-3-fluoro-phenyl}-2-oxo-oxazolidin-5-ylmethyl)-acetamide
CID 10293141
E 3709
CID 130982
N-[[(5S)-3-[3-fluoro-4-[(E)-2-fluoro-2-pyridin-3-ylethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 9947714
N-{(S)-3-[4-((Z)-2-Bromo-2-pyridin-4-yl-vinyl)-3-fluoro-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 10160027
N-{(S)-3-[4-((Z)-2-Bromo-2-pyridin-3-yl-vinyl)-3-fluoro-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 10203209
Ethyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate
CID 56658657
ethyl N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]carbamate
CID 56679465
N-[[(5S)-3-[4-[ethyl(pyridin-3-ylmethyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 44355062
(5S)-5-(aminomethyl)-3-[4-(2-chloro-4-pyridyl)-3-fluoro-phenyl]oxazolidin-2-one
CID 129071123

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(4-chloro-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[[(4-chloro-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one (CID 167884744) is 3-[4-[[(4-chloro-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[[(4-chloro-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[[(4-chloro-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one is O=C1OCCN1c1ccc(CNCc2cnccc2Cl)cc1.
What is the InChIKey of 3-[4-[[(4-chloro-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is GLKKVAOXBMVYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-15-5-6-18-10-13(15)11-19-9-12-1-3-14(4-2-12)20-7-8-22-16(20)21/h1-6,10,19H,7-9,11H2.
What are the key properties of 3-[4-[[(4-chloro-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[[(4-chloro-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 317.78 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(4-chloro-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 167884744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).