N-[(2-chlorophenyl)methyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline

C19H14ClN3O — CID 2996752

IUPACN-[(2-chlorophenyl)methyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
SMILESClc1ccccc1CNc1ccc(-c2nc3ncccc3o2)cc1
InChIInChI=1S/C19H14ClN3O/c20-16-5-2-1-4-14(16)12-22-15-9-7-13(8-10-15)19-23-18-17(24-19)6-3-11-21-18/h1-11,22H,12H2
InChIKeyLQWZDWPRVTWPOB-UHFFFAOYSA-N
MW335.79 g/mol
LogP5.16
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline

N-[(2-chlorophenyl)methyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline (PubChem CID 2996752) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
PubChem CID2996752
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC NameN-[(2-chlorophenyl)methyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
SMILESClc1ccccc1CNc1ccc(-c2nc3ncccc3o2)cc1
InChIInChI=1S/C19H14ClN3O/c20-16-5-2-1-4-14(16)12-22-15-9-7-13(8-10-15)19-23-18-17(24-19)6-3-11-21-18/h1-11,22H,12H2
InChIKeyLQWZDWPRVTWPOB-UHFFFAOYSA-N
XLogP5.16
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.79
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline (CID 2996752) is N-[(2-chlorophenyl)methyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline is Clc1ccccc1CNc1ccc(-c2nc3ncccc3o2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
The InChIKey is LQWZDWPRVTWPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c20-16-5-2-1-4-14(16)12-22-15-9-7-13(8-10-15)19-23-18-17(24-19)6-3-11-21-18/h1-11,22H,12H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
N-[(2-chlorophenyl)methyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline has a molecular weight of 335.79 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline is sourced from PubChem (CID 2996752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).