N-benzyl-3-(5-chloro-1,3-benzoxazol-2-yl)pyridin-2-amine

C19H14ClN3O — CID 1486667

IUPACN-benzyl-3-(5-chloro-1,3-benzoxazol-2-yl)pyridin-2-amine
SMILESClc1ccc2oc(-c3cccnc3NCc3ccccc3)nc2c1
InChIInChI=1S/C19H14ClN3O/c20-14-8-9-17-16(11-14)23-19(24-17)15-7-4-10-21-18(15)22-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,21,22)
InChIKeySPSQGDIGJAIYSM-UHFFFAOYSA-N
MW335.79 g/mol
LogP5.16
Rot. Bonds4

About N-benzyl-3-(5-chloro-1,3-benzoxazol-2-yl)pyridin-2-amine

N-benzyl-3-(5-chloro-1,3-benzoxazol-2-yl)pyridin-2-amine (PubChem CID 1486667) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is N-benzyl-3-(5-chloro-1,3-benzoxazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-3-(5-chloro-1,3-benzoxazol-2-yl)pyridin-2-amine
PubChem CID1486667
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC NameN-benzyl-3-(5-chloro-1,3-benzoxazol-2-yl)pyridin-2-amine
SMILESClc1ccc2oc(-c3cccnc3NCc3ccccc3)nc2c1
InChIInChI=1S/C19H14ClN3O/c20-14-8-9-17-16(11-14)23-19(24-17)15-7-4-10-21-18(15)22-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,21,22)
InChIKeySPSQGDIGJAIYSM-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-benzyl-3-(5-chloro-1,3-benzoxazol-2-yl)pyridin-2-amine?
The IUPAC name of N-benzyl-3-(5-chloro-1,3-benzoxazol-2-yl)pyridin-2-amine (CID 1486667) is N-benzyl-3-(5-chloro-1,3-benzoxazol-2-yl)pyridin-2-amine.
What is the SMILES notation for N-benzyl-3-(5-chloro-1,3-benzoxazol-2-yl)pyridin-2-amine?
The canonical SMILES for N-benzyl-3-(5-chloro-1,3-benzoxazol-2-yl)pyridin-2-amine is Clc1ccc2oc(-c3cccnc3NCc3ccccc3)nc2c1.
What is the InChIKey of N-benzyl-3-(5-chloro-1,3-benzoxazol-2-yl)pyridin-2-amine?
The InChIKey is SPSQGDIGJAIYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c20-14-8-9-17-16(11-14)23-19(24-17)15-7-4-10-21-18(15)22-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,21,22).
What are the key properties of N-benzyl-3-(5-chloro-1,3-benzoxazol-2-yl)pyridin-2-amine?
N-benzyl-3-(5-chloro-1,3-benzoxazol-2-yl)pyridin-2-amine 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-benzyl-3-(5-chloro-1,3-benzoxazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 1486667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).