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

C14H10ClN3O — CID 66200703

IUPAC4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccnc2)c1-c1cccc(Cl)c1
InChIInChI=1S/C14H10ClN3O/c15-11-5-1-3-9(7-11)12-13(19-18-14(12)16)10-4-2-6-17-8-10/h1-8H,(H2,16,18)
InChIKeyXTNFHSFOFXXTNN-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.64
Rot. Bonds2

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

4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine (PubChem CID 66200703) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
PubChem CID66200703
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccnc2)c1-c1cccc(Cl)c1
InChIInChI=1S/C14H10ClN3O/c15-11-5-1-3-9(7-11)12-13(19-18-14(12)16)10-4-2-6-17-8-10/h1-8H,(H2,16,18)
InChIKeyXTNFHSFOFXXTNN-UHFFFAOYSA-N
XLogP3.64
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine (CID 66200703) is 4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine is Nc1noc(-c2cccnc2)c1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine?
The InChIKey is XTNFHSFOFXXTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-11-5-1-3-9(7-11)12-13(19-18-14(12)16)10-4-2-6-17-8-10/h1-8H,(H2,16,18).
What are the key properties of 4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine?
4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine has a molecular weight of 271.71 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 66200703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).