N-[1-(5-phenyl-2-pyridinyl)ethyl]-1,2-oxazol-5-amine

C16H15N3O — CID 70133741

IUPACN-[1-(5-phenyl-2-pyridinyl)ethyl]-1,2-oxazol-5-amine
SMILESCC(Nc1ccno1)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C16H15N3O/c1-12(19-16-9-10-18-20-16)15-8-7-14(11-17-15)13-5-3-2-4-6-13/h2-12,19H,1H3
InChIKeyMCWNVJGBSGWTAY-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.91
Rot. Bonds4

About N-[1-(5-phenyl-2-pyridinyl)ethyl]-1,2-oxazol-5-amine

N-[1-(5-phenyl-2-pyridinyl)ethyl]-1,2-oxazol-5-amine (PubChem CID 70133741) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[1-(5-phenyl-2-pyridinyl)ethyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound NameN-[1-(5-phenyl-2-pyridinyl)ethyl]-1,2-oxazol-5-amine
PubChem CID70133741
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-[1-(5-phenyl-2-pyridinyl)ethyl]-1,2-oxazol-5-amine
SMILESCC(Nc1ccno1)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C16H15N3O/c1-12(19-16-9-10-18-20-16)15-8-7-14(11-17-15)13-5-3-2-4-6-13/h2-12,19H,1H3
InChIKeyMCWNVJGBSGWTAY-UHFFFAOYSA-N
XLogP3.91
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-phenyl-2-pyridinyl)ethyl]-1,2-oxazol-5-amine?
The IUPAC name of N-[1-(5-phenyl-2-pyridinyl)ethyl]-1,2-oxazol-5-amine (CID 70133741) is N-[1-(5-phenyl-2-pyridinyl)ethyl]-1,2-oxazol-5-amine.
What is the SMILES notation for N-[1-(5-phenyl-2-pyridinyl)ethyl]-1,2-oxazol-5-amine?
The canonical SMILES for N-[1-(5-phenyl-2-pyridinyl)ethyl]-1,2-oxazol-5-amine is CC(Nc1ccno1)c1ccc(-c2ccccc2)cn1.
What is the InChIKey of N-[1-(5-phenyl-2-pyridinyl)ethyl]-1,2-oxazol-5-amine?
The InChIKey is MCWNVJGBSGWTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12(19-16-9-10-18-20-16)15-8-7-14(11-17-15)13-5-3-2-4-6-13/h2-12,19H,1H3.
What are the key properties of N-[1-(5-phenyl-2-pyridinyl)ethyl]-1,2-oxazol-5-amine?
N-[1-(5-phenyl-2-pyridinyl)ethyl]-1,2-oxazol-5-amine has a molecular weight of 265.32 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-phenyl-2-pyridinyl)ethyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 70133741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).