5-(4-chlorophenyl)-N-pyridin-3-yl-1,3-oxazol-2-amine

C14H10ClN3O — CID 23725370

IUPAC5-(4-chlorophenyl)-N-pyridin-3-yl-1,3-oxazol-2-amine
SMILESClc1ccc(-c2cnc(Nc3cccnc3)o2)cc1
InChIInChI=1S/C14H10ClN3O/c15-11-5-3-10(4-6-11)13-9-17-14(19-13)18-12-2-1-7-16-8-12/h1-9H,(H,17,18)
InChIKeyGTULWLWQHPGQHL-UHFFFAOYSA-N
MW271.71 g/mol
LogP4.13
Rot. Bonds3

About 5-(4-chlorophenyl)-N-pyridin-3-yl-1,3-oxazol-2-amine

5-(4-chlorophenyl)-N-pyridin-3-yl-1,3-oxazol-2-amine (PubChem CID 23725370) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-pyridin-3-yl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-pyridin-3-yl-1,3-oxazol-2-amine
PubChem CID23725370
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name5-(4-chlorophenyl)-N-pyridin-3-yl-1,3-oxazol-2-amine
SMILESClc1ccc(-c2cnc(Nc3cccnc3)o2)cc1
InChIInChI=1S/C14H10ClN3O/c15-11-5-3-10(4-6-11)13-9-17-14(19-13)18-12-2-1-7-16-8-12/h1-9H,(H,17,18)
InChIKeyGTULWLWQHPGQHL-UHFFFAOYSA-N
XLogP4.13
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-pyridin-3-yl-1,3-oxazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-pyridin-3-yl-1,3-oxazol-2-amine (CID 23725370) is 5-(4-chlorophenyl)-N-pyridin-3-yl-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-pyridin-3-yl-1,3-oxazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-pyridin-3-yl-1,3-oxazol-2-amine is Clc1ccc(-c2cnc(Nc3cccnc3)o2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-pyridin-3-yl-1,3-oxazol-2-amine?
The InChIKey is GTULWLWQHPGQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-11-5-3-10(4-6-11)13-9-17-14(19-13)18-12-2-1-7-16-8-12/h1-9H,(H,17,18).
What are the key properties of 5-(4-chlorophenyl)-N-pyridin-3-yl-1,3-oxazol-2-amine?
5-(4-chlorophenyl)-N-pyridin-3-yl-1,3-oxazol-2-amine has a molecular weight of 271.71 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-pyridin-3-yl-1,3-oxazol-2-amine is sourced from PubChem (CID 23725370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).